(2S)-2-amino-2-(4-oxo-1H-quinolin-3-yl)acetic acid

C11H10N2O3 — CID 92855801

IUPAC(2S)-2-amino-2-(4-oxo-1H-quinolin-3-yl)acetic acid
SMILESN[C@H](C(=O)O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C11H10N2O3/c12-9(11(15)16)7-5-13-8-4-2-1-3-6(8)10(7)14/h1-5,9H,12H2,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyHEMXMJXUGSSOBY-VIFPVBQESA-N
MW218.21 g/mol
LogP0.61
Rot. Bonds2

About (2S)-2-amino-2-(4-oxo-1H-quinolin-3-yl)acetic acid

(2S)-2-amino-2-(4-oxo-1H-quinolin-3-yl)acetic acid (PubChem CID 92855801) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-oxo-1H-quinolin-3-yl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-oxo-1H-quinolin-3-yl)acetic acid
PubChem CID92855801
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name(2S)-2-amino-2-(4-oxo-1H-quinolin-3-yl)acetic acid
SMILESN[C@H](C(=O)O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C11H10N2O3/c12-9(11(15)16)7-5-13-8-4-2-1-3-6(8)10(7)14/h1-5,9H,12H2,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyHEMXMJXUGSSOBY-VIFPVBQESA-N
XLogP0.61
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(1H-indol-3-yl)acetyl chloride
CID 88673710
4-amino-4-(1H-indol-3-yl)butanoic acid
CID 82614837
2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid
CID 82396670
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-3,3,3-trifluoro-2-(1H-indol-3-yl)propanoic acid
CID 2324682
2-(1H-indol-3-yl)-3-methylbutanedioic acid
CID 57149405
2-(1H-indol-3-yl)butanedioic acid
CID 588708
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-2-(1H-indol-3-ylamino)acetic acid
CID 177285146
2-(1H-indol-3-yl)-2-(methylamino)acetic acid
CID 82469928
2-amino-2-(5-tert-butyl-1H-indol-3-yl)acetic acid
CID 84632317
2-amino-3-(1H-indol-3-yl)propanoic acid;dihydrate
CID 86010535

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-oxo-1H-quinolin-3-yl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(4-oxo-1H-quinolin-3-yl)acetic acid (CID 92855801) is (2S)-2-amino-2-(4-oxo-1H-quinolin-3-yl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(4-oxo-1H-quinolin-3-yl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(4-oxo-1H-quinolin-3-yl)acetic acid is N[C@H](C(=O)O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of (2S)-2-amino-2-(4-oxo-1H-quinolin-3-yl)acetic acid?
The InChIKey is HEMXMJXUGSSOBY-VIFPVBQESA-N. The full InChI is InChI=1S/C11H10N2O3/c12-9(11(15)16)7-5-13-8-4-2-1-3-6(8)10(7)14/h1-5,9H,12H2,(H,13,14)(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-2-(4-oxo-1H-quinolin-3-yl)acetic acid?
(2S)-2-amino-2-(4-oxo-1H-quinolin-3-yl)acetic acid has a molecular weight of 218.21 g/mol, XLogP of 0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(4-oxo-1H-quinolin-3-yl)acetic acid is sourced from PubChem (CID 92855801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).