(2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid

C14H20N2O5 — CID 119363522

IUPAC(2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C(C)NC(=O)c1ccoc1)C(=O)O
InChIInChI=1S/C14H20N2O5/c1-8(2)6-11(14(19)20)16-12(17)9(3)15-13(18)10-4-5-21-7-10/h4-5,7-9,11H,6H2,1-3H3,(H,15,18)(H,16,17)(H,19,20)/t9?,11-/m1/s1
InChIKeyVSNBTRHUVRPKDF-HCCKASOXSA-N
MW296.32 g/mol
LogP1.01
Rot. Bonds7

About (2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid

(2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid (PubChem CID 119363522) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is (2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
PubChem CID119363522
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name(2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C(C)NC(=O)c1ccoc1)C(=O)O
InChIInChI=1S/C14H20N2O5/c1-8(2)6-11(14(19)20)16-12(17)9(3)15-13(18)10-4-5-21-7-10/h4-5,7-9,11H,6H2,1-3H3,(H,15,18)(H,16,17)(H,19,20)/t9?,11-/m1/s1
InChIKeyVSNBTRHUVRPKDF-HCCKASOXSA-N
XLogP1.01
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119188091
(2S)-2-[2-(furan-3-carbonylamino)propanoylamino]-3-methylbutanoic acid
CID 119359772
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]furan-3-carboxamide
CID 166630178
2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic acid
CID 119199037
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119626005
N-(1-amino-4-methylpentan-2-yl)furan-3-carboxamide;hydrochloride
CID 119587685
2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119188047
(2S)-2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119361717
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119527496
N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide
CID 51103926
2-benzyl-3-[2-(furan-3-carbonylamino)propanoylamino]propanoic acid
CID 119233505
4-methyl-2-[2-[(3-nitrobenzoyl)amino]propanoylamino]pentanoic acid
CID 119187960

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid (CID 119363522) is (2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)C(C)NC(=O)c1ccoc1)C(=O)O.
What is the InChIKey of (2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid?
The InChIKey is VSNBTRHUVRPKDF-HCCKASOXSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-8(2)6-11(14(19)20)16-12(17)9(3)15-13(18)10-4-5-21-7-10/h4-5,7-9,11H,6H2,1-3H3,(H,15,18)(H,16,17)(H,19,20)/t9?,11-/m1/s1.
What are the key properties of (2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid?
(2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid has a molecular weight of 296.32 g/mol, XLogP of 1.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 119363522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).