N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]furan-3-carboxamide

C13H19N3O4 — CID 166630178

IUPACN-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]furan-3-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccoc1)C(=O)NCC(N)=O
InChIInChI=1S/C13H19N3O4/c1-8(2)5-10(13(19)15-6-11(14)17)16-12(18)9-3-4-20-7-9/h3-4,7-8,10H,5-6H2,1-2H3,(H2,14,17)(H,15,19)(H,16,18)/t10-/m0/s1
InChIKeyRYAUDQTUUTVOSS-JTQLQIEISA-N
MW281.31 g/mol
LogP0.03
Rot. Bonds7

About N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]furan-3-carboxamide

N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]furan-3-carboxamide (PubChem CID 166630178) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]furan-3-carboxamide
PubChem CID166630178
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC NameN-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]furan-3-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccoc1)C(=O)NCC(N)=O
InChIInChI=1S/C13H19N3O4/c1-8(2)5-10(13(19)15-6-11(14)17)16-12(18)9-3-4-20-7-9/h3-4,7-8,10H,5-6H2,1-2H3,(H2,14,17)(H,15,19)(H,16,18)/t10-/m0/s1
InChIKeyRYAUDQTUUTVOSS-JTQLQIEISA-N
XLogP0.03
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]furan-3-carboxamide with MolForge

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Related Compounds

(2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119363522
2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119188091
N-(1-amino-4-methylpentan-2-yl)furan-3-carboxamide;hydrochloride
CID 119587685
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119626005
N-(2-amino-2-oxoethyl)-4-methyl-2-(propanoylamino)pentanamide;ethanamine;ethane
CID 170598149
N-(3-amino-3-hydroxyimino-2-methylpropyl)furan-3-carboxamide
CID 76952612
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
1-N,4-N-bis[(2S)-4-methyl-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]benzene-1,4-dicarboxamide
CID 132534144
N-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]furan-3-carboxamide
CID 90912947
4-chloro-N-[(2R)-4-methyl-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentan-2-yl]benzamide
CID 9300609
(2S)-N-(2-amino-2-oxoethyl)-2-formamido-4-methylpentanamide
CID 163530285
N-[2-[[(1S)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]furan-3-carboxamide
CID 94814587

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]furan-3-carboxamide (CID 166630178) is N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]furan-3-carboxamide is CC(C)C[C@H](NC(=O)c1ccoc1)C(=O)NCC(N)=O.
What is the InChIKey of N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]furan-3-carboxamide?
The InChIKey is RYAUDQTUUTVOSS-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8(2)5-10(13(19)15-6-11(14)17)16-12(18)9-3-4-20-7-9/h3-4,7-8,10H,5-6H2,1-2H3,(H2,14,17)(H,15,19)(H,16,18)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]furan-3-carboxamide?
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]furan-3-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 166630178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).