(2S)-5-amino-5-oxo-2-(quinolin-2-ylamino)pentanoic acid

C14H15N3O3 — CID 54495250

IUPAC(2S)-5-amino-5-oxo-2-(quinolin-2-ylamino)pentanoic acid
SMILESNC(=O)CC[C@H](Nc1ccc2ccccc2n1)C(=O)O
InChIInChI=1S/C14H15N3O3/c15-12(18)7-6-11(14(19)20)17-13-8-5-9-3-1-2-4-10(9)16-13/h1-5,8,11H,6-7H2,(H2,15,18)(H,16,17)(H,19,20)/t11-/m0/s1
InChIKeyXYPJDDOHWNUDMM-NSHDSACASA-N
MW273.29 g/mol
LogP1.37
Rot. Bonds6

About (2S)-5-amino-5-oxo-2-(quinolin-2-ylamino)pentanoic acid

(2S)-5-amino-5-oxo-2-(quinolin-2-ylamino)pentanoic acid (PubChem CID 54495250) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2S)-5-amino-5-oxo-2-(quinolin-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-5-oxo-2-(quinolin-2-ylamino)pentanoic acid
PubChem CID54495250
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name(2S)-5-amino-5-oxo-2-(quinolin-2-ylamino)pentanoic acid
SMILESNC(=O)CC[C@H](Nc1ccc2ccccc2n1)C(=O)O
InChIInChI=1S/C14H15N3O3/c15-12(18)7-6-11(14(19)20)17-13-8-5-9-3-1-2-4-10(9)16-13/h1-5,8,11H,6-7H2,(H2,15,18)(H,16,17)(H,19,20)/t11-/m0/s1
InChIKeyXYPJDDOHWNUDMM-NSHDSACASA-N
XLogP1.37
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-amino-2-anilino-5-oxopentanoic acid
CID 54197392
methyl 3-hydroxy-2-(quinolin-2-ylamino)propanoate
CID 62006992
5-amino-2-[(3-hydroxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid
CID 163166214
2-[(4-carbamoylquinolin-2-yl)amino]pentanoic acid
CID 63886576
5-amino-2-(4-aminoanilino)-5-oxopentanoic acid
CID 70627303
5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid
CID 23278909
2-[(quinolin-2-ylamino)methyl]pentanoic acid
CID 65224429
2-amino-N-quinolin-2-ylacetamide
CID 54505370
[[(2S)-5-amino-1,5-dioxo-1-phenoxypentan-2-yl]amino]methanesulfonic acid;palladium
CID 174496056
CID 68604008
CID 68604008
(2S)-5-amino-2-(1H-indazole-7-carbonylamino)-5-oxopentanoic acid
CID 167788429
sodium;(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid;hydride
CID 173433388

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-5-oxo-2-(quinolin-2-ylamino)pentanoic acid?
The IUPAC name of (2S)-5-amino-5-oxo-2-(quinolin-2-ylamino)pentanoic acid (CID 54495250) is (2S)-5-amino-5-oxo-2-(quinolin-2-ylamino)pentanoic acid.
What is the SMILES notation for (2S)-5-amino-5-oxo-2-(quinolin-2-ylamino)pentanoic acid?
The canonical SMILES for (2S)-5-amino-5-oxo-2-(quinolin-2-ylamino)pentanoic acid is NC(=O)CC[C@H](Nc1ccc2ccccc2n1)C(=O)O.
What is the InChIKey of (2S)-5-amino-5-oxo-2-(quinolin-2-ylamino)pentanoic acid?
The InChIKey is XYPJDDOHWNUDMM-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N3O3/c15-12(18)7-6-11(14(19)20)17-13-8-5-9-3-1-2-4-10(9)16-13/h1-5,8,11H,6-7H2,(H2,15,18)(H,16,17)(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-5-amino-5-oxo-2-(quinolin-2-ylamino)pentanoic acid?
(2S)-5-amino-5-oxo-2-(quinolin-2-ylamino)pentanoic acid has a molecular weight of 273.29 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-5-oxo-2-(quinolin-2-ylamino)pentanoic acid is sourced from PubChem (CID 54495250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).