3-hydroxy-2-(quinolin-6-ylcarbamoylamino)butanoic acid

C14H15N3O4 — CID 62636014

IUPAC3-hydroxy-2-(quinolin-6-ylcarbamoylamino)butanoic acid
SMILESCC(O)C(NC(=O)Nc1ccc2ncccc2c1)C(=O)O
InChIInChI=1S/C14H15N3O4/c1-8(18)12(13(19)20)17-14(21)16-10-4-5-11-9(7-10)3-2-6-15-11/h2-8,12,18H,1H3,(H,19,20)(H2,16,17,21)
InChIKeyAMXKFUHOPRBCRP-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.19
Rot. Bonds4

About 3-hydroxy-2-(quinolin-6-ylcarbamoylamino)butanoic acid

3-hydroxy-2-(quinolin-6-ylcarbamoylamino)butanoic acid (PubChem CID 62636014) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-hydroxy-2-(quinolin-6-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(quinolin-6-ylcarbamoylamino)butanoic acid
PubChem CID62636014
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name3-hydroxy-2-(quinolin-6-ylcarbamoylamino)butanoic acid
SMILESCC(O)C(NC(=O)Nc1ccc2ncccc2c1)C(=O)O
InChIInChI=1S/C14H15N3O4/c1-8(18)12(13(19)20)17-14(21)16-10-4-5-11-9(7-10)3-2-6-15-11/h2-8,12,18H,1H3,(H,19,20)(H2,16,17,21)
InChIKeyAMXKFUHOPRBCRP-UHFFFAOYSA-N
XLogP1.19
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(quinolin-6-ylamino)butanoic acid
CID 82539325
2,3-dimethyl-4-oxo-4-(quinolin-6-ylamino)butanoic acid
CID 103498293
2-[(4-acetamidophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61181993
N-quinolin-6-ylbenzamide
CID 833617
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
(2S,3R)-3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 104965833
(2S,3R)-2-[(3-bromo-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 104966571
2-(quinoxalin-6-ylcarbamoylamino)propanoic acid
CID 4974593
(2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid
CID 78917504
(2S,3R)-3-hydroxy-2-[(3-methylsulfanylphenyl)carbamoylamino]butanoic acid
CID 104965710
2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-hydroxybutanoic acid
CID 61183883
(2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide
CID 14310136

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(quinolin-6-ylcarbamoylamino)butanoic acid?
The IUPAC name of 3-hydroxy-2-(quinolin-6-ylcarbamoylamino)butanoic acid (CID 62636014) is 3-hydroxy-2-(quinolin-6-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 3-hydroxy-2-(quinolin-6-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 3-hydroxy-2-(quinolin-6-ylcarbamoylamino)butanoic acid is CC(O)C(NC(=O)Nc1ccc2ncccc2c1)C(=O)O.
What is the InChIKey of 3-hydroxy-2-(quinolin-6-ylcarbamoylamino)butanoic acid?
The InChIKey is AMXKFUHOPRBCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-8(18)12(13(19)20)17-14(21)16-10-4-5-11-9(7-10)3-2-6-15-11/h2-8,12,18H,1H3,(H,19,20)(H2,16,17,21).
What are the key properties of 3-hydroxy-2-(quinolin-6-ylcarbamoylamino)butanoic acid?
3-hydroxy-2-(quinolin-6-ylcarbamoylamino)butanoic acid has a molecular weight of 289.29 g/mol, XLogP of 1.19, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(quinolin-6-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 62636014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).