(2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid

C9H10N2O4 — CID 90150229

IUPAC(2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid
SMILESO=C(O)N[C@@H](Cc1ccccn1)C(=O)O
InChIInChI=1S/C9H10N2O4/c12-8(13)7(11-9(14)15)5-6-3-1-2-4-10-6/h1-4,7,11H,5H2,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyCFHWYHBALNFPGP-ZETCQYMHSA-N
MW210.19 g/mol
LogP0.34
Rot. Bonds4

About (2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid

(2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid (PubChem CID 90150229) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is (2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid
PubChem CID90150229
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name(2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid
SMILESO=C(O)N[C@@H](Cc1ccccn1)C(=O)O
InChIInChI=1S/C9H10N2O4/c12-8(13)7(11-9(14)15)5-6-3-1-2-4-10-6/h1-4,7,11H,5H2,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyCFHWYHBALNFPGP-ZETCQYMHSA-N
XLogP0.34
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(propanoylamino)-3-pyridin-2-ylpropanoic acid
CID 141086627
2-(ethylamino)-3-pyridin-2-ylpropanoic acid
CID 83698578
2-(cyclopentanecarbonylamino)-3-pyridin-2-ylpropanoic acid
CID 166247442
fermium;2-(oxomethylamino)-3-pyridin-2-ylpropanoic acid
CID 171093339
(1-phenyl-2-pyridin-2-ylethyl)carbamic acid
CID 134541861
2-hydroxy-3-pyridin-2-ylpropanoic acid chloride
CID 5351816
(2S)-3-phenyl-2-[[2-(pyridin-2-ylmethylamino)acetyl]amino]propanoic acid
CID 68875961
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
3-hydroxy-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 114289566
(2S)-2-nitroso-3-pyridin-2-ylpropanoic acid
CID 88932015
2-[[(2R)-3-carboxy-1-pyridin-2-ylbut-3-en-2-yl]amino]-4-methylpentanoic acid
CID 142163725
(3-oxo-4-pyridin-2-ylbutan-2-yl)carbamic acid
CID 67240305

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid?
The IUPAC name of (2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid (CID 90150229) is (2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid.
What is the SMILES notation for (2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid?
The canonical SMILES for (2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid is O=C(O)N[C@@H](Cc1ccccn1)C(=O)O.
What is the InChIKey of (2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid?
The InChIKey is CFHWYHBALNFPGP-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10N2O4/c12-8(13)7(11-9(14)15)5-6-3-1-2-4-10-6/h1-4,7,11H,5H2,(H,12,13)(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid?
(2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid has a molecular weight of 210.19 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 90150229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).