N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]furan-2-carboxamide

C18H25N3O6 — CID 7050082

IUPACN-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]furan-2-carboxamide
SMILESCC(C)C[C@@H](NC(=O)C1=C[C@@H](NC(=O)c2ccco2)[C@@H](O)[C@H](O)C1)C(N)=O
InChIInChI=1S/C18H25N3O6/c1-9(2)6-12(16(19)24)21-17(25)10-7-11(15(23)13(22)8-10)20-18(26)14-4-3-5-27-14/h3-5,7,9,11-13,15,22-23H,6,8H2,1-2H3,(H2,19,24)(H,20,26)(H,21,25)/t11-,12-,13-,15-/m1/s1
InChIKeyVHBNQWVFNALVTA-RGCMKSIDSA-N
MW379.41 g/mol
LogP-0.55
Rot. Bonds7

About N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]furan-2-carboxamide

N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]furan-2-carboxamide (PubChem CID 7050082) has the molecular formula C18H25N3O6 and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]furan-2-carboxamide
PubChem CID7050082
Molecular FormulaC18H25N3O6
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC NameN-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]furan-2-carboxamide
SMILESCC(C)C[C@@H](NC(=O)C1=C[C@@H](NC(=O)c2ccco2)[C@@H](O)[C@H](O)C1)C(N)=O
InChIInChI=1S/C18H25N3O6/c1-9(2)6-12(16(19)24)21-17(25)10-7-11(15(23)13(22)8-10)20-18(26)14-4-3-5-27-14/h3-5,7,9,11-13,15,22-23H,6,8H2,1-2H3,(H2,19,24)(H,20,26)(H,21,25)/t11-,12-,13-,15-/m1/s1
InChIKeyVHBNQWVFNALVTA-RGCMKSIDSA-N
XLogP-0.55
TPSA154.89 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 5-0.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide
CID 7050090
(3S,4R,5R)-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-4,5-dihydroxy-3-[(4-methylphenyl)carbamoylamino]cyclohexene-1-carboxamide
CID 163024520
N-(1-amino-4-methyl-1-oxopentan-2-yl)-4,5-dihydroxy-3-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexene-1-carboxamide
CID 4650791
[(2S)-1-[[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylazanium
CID 11866304
2-[2-[[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]amino]-2-oxoethyl]sulfanylacetic acid
CID 3801911
N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrazine-2-carboxamide
CID 7050112
[(2S)-1-[[(1R,5R,6R)-3-[[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylazanium
CID 11882004
N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide
CID 3685127
[3-[(1-amino-4-methyl-1-oxopentan-2-yl)carbamoyl]-5-[(2-bromobenzoyl)amino]-6-hydroxycyclohex-3-en-1-yl] N-phenylcarbamate
CID 3748586
2-[1-[2-[[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 7050120
N-(1-amino-1-oxopropan-2-yl)-4,5-dihydroxy-3-[[3-methyl-2-(methylamino)butanoyl]amino]cyclohexene-1-carboxamide
CID 3535141
heptyl 2-(furan-2-carbonylamino)-4-methylpentanoate
CID 91727365

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]furan-2-carboxamide?
The IUPAC name of N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]furan-2-carboxamide (CID 7050082) is N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]furan-2-carboxamide?
The canonical SMILES for N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]furan-2-carboxamide is CC(C)C[C@@H](NC(=O)C1=C[C@@H](NC(=O)c2ccco2)[C@@H](O)[C@H](O)C1)C(N)=O.
What is the InChIKey of N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]furan-2-carboxamide?
The InChIKey is VHBNQWVFNALVTA-RGCMKSIDSA-N. The full InChI is InChI=1S/C18H25N3O6/c1-9(2)6-12(16(19)24)21-17(25)10-7-11(15(23)13(22)8-10)20-18(26)14-4-3-5-27-14/h3-5,7,9,11-13,15,22-23H,6,8H2,1-2H3,(H2,19,24)(H,20,26)(H,21,25)/t11-,12-,13-,15-/m1/s1.
What are the key properties of N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]furan-2-carboxamide?
N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]furan-2-carboxamide has a molecular weight of 379.41 g/mol, XLogP of -0.55, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]furan-2-carboxamide is sourced from PubChem (CID 7050082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).