(2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-4-amino-4-oxobutanoic acid

C14H23N3O4 — CID 103870283

IUPAC(2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-4-amino-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NC(=O)C1CCC2CCCCC2N1)C(=O)O
InChIInChI=1S/C14H23N3O4/c15-12(18)7-11(14(20)21)17-13(19)10-6-5-8-3-1-2-4-9(8)16-10/h8-11,16H,1-7H2,(H2,15,18)(H,17,19)(H,20,21)/t8?,9?,10?,11-/m1/s1
InChIKeyCBNDLONUIRTRTP-AHELAYONSA-N
MW297.36 g/mol
LogP-0.26
Rot. Bonds5

About (2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-4-amino-4-oxobutanoic acid

(2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-4-amino-4-oxobutanoic acid (PubChem CID 103870283) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is (2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-4-amino-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-4-amino-4-oxobutanoic acid
PubChem CID103870283
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name(2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-4-amino-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NC(=O)C1CCC2CCCCC2N1)C(=O)O
InChIInChI=1S/C14H23N3O4/c15-12(18)7-11(14(20)21)17-13(19)10-6-5-8-3-1-2-4-9(8)16-10/h8-11,16H,1-7H2,(H2,15,18)(H,17,19)(H,20,21)/t8?,9?,10?,11-/m1/s1
InChIKeyCBNDLONUIRTRTP-AHELAYONSA-N
XLogP-0.26
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-4-amino-4-oxobutanoic acid with MolForge

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Related Compounds

(2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-4-amino-4-oxobutanoic acid
CID 103870151
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)-5-amino-5-oxopentanoic acid
CID 61156698
(2R)-4-amino-4-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 103870279
4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)pentanoic acid
CID 66468796
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 106349918
methyl 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-methylbutanoate
CID 66470994
3-[(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)methyl]pentanoic acid
CID 81065341
N-(1-cyanopropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66468991
4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-methoxybutanoic acid
CID 103157085
(2S)-4-amino-2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]-4-oxobutanoic acid
CID 107824651
N-[1-oxo-1-(propylamino)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470781
4-amino-2-[[3-carboxy-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]-4-oxobutanoic acid
CID 18223476

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-4-amino-4-oxobutanoic acid?
The IUPAC name of (2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-4-amino-4-oxobutanoic acid (CID 103870283) is (2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-4-amino-4-oxobutanoic acid.
What is the SMILES notation for (2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-4-amino-4-oxobutanoic acid?
The canonical SMILES for (2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-4-amino-4-oxobutanoic acid is NC(=O)C[C@@H](NC(=O)C1CCC2CCCCC2N1)C(=O)O.
What is the InChIKey of (2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-4-amino-4-oxobutanoic acid?
The InChIKey is CBNDLONUIRTRTP-AHELAYONSA-N. The full InChI is InChI=1S/C14H23N3O4/c15-12(18)7-11(14(20)21)17-13(19)10-6-5-8-3-1-2-4-9(8)16-10/h8-11,16H,1-7H2,(H2,15,18)(H,17,19)(H,20,21)/t8?,9?,10?,11-/m1/s1.
What are the key properties of (2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-4-amino-4-oxobutanoic acid?
(2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-4-amino-4-oxobutanoic acid has a molecular weight of 297.36 g/mol, XLogP of -0.26, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-4-amino-4-oxobutanoic acid is sourced from PubChem (CID 103870283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).