5-[(S)-amino(carboxy)methyl]pyridine-2-carboxylic acid

C8H8N2O4 — CID 130679702

IUPAC5-[(S)-amino(carboxy)methyl]pyridine-2-carboxylic acid
SMILESN[C@H](C(=O)O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C8H8N2O4/c9-6(8(13)14)4-1-2-5(7(11)12)10-3-4/h1-3,6H,9H2,(H,11,12)(H,13,14)/t6-/m0/s1
InChIKeyJRCWYDVSMIPBGF-LURJTMIESA-N
MW196.16 g/mol
LogP-0.14
Rot. Bonds3

About 5-[(S)-amino(carboxy)methyl]pyridine-2-carboxylic acid

5-[(S)-amino(carboxy)methyl]pyridine-2-carboxylic acid (PubChem CID 130679702) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 5-[(S)-amino(carboxy)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(S)-amino(carboxy)methyl]pyridine-2-carboxylic acid
PubChem CID130679702
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name5-[(S)-amino(carboxy)methyl]pyridine-2-carboxylic acid
SMILESN[C@H](C(=O)O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C8H8N2O4/c9-6(8(13)14)4-1-2-5(7(11)12)10-3-4/h1-3,6H,9H2,(H,11,12)(H,13,14)/t6-/m0/s1
InChIKeyJRCWYDVSMIPBGF-LURJTMIESA-N
XLogP-0.14
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,2-diaminoethyl)pyridine-2-carboxylic acid
CID 55292974
(2S)-2-amino-2-(6-phenyl-3-pyridinyl)acetic acid
CID 86314474
5-[bis(4-methylphenyl)methyl]pyridine-2-carboxylic acid
CID 22748807
2-amino-2-[6-(4-bromophenyl)-3-pyridinyl]acetic acid;hydrochloride
CID 24730356
(2S)-2-amino-2-(4-sulfophenyl)acetic acid
CID 46885569
2-amino-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 82392538
pyridine-2,5-dicarboxylic acid
CID 158970171
5-bromopyridine-2-carboxylic acid;hydrazine
CID 161359916
5-[amino(carboxy)methyl]-3-fluoropyridine-2-carboxylic acid
CID 131871682
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-phenylacetic acid;benzene
CID 18446848
5-hydroxypyridine-2-carboxylic acid;hydrate
CID 44607741

Frequently Asked Questions

What is the IUPAC name of 5-[(S)-amino(carboxy)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(S)-amino(carboxy)methyl]pyridine-2-carboxylic acid (CID 130679702) is 5-[(S)-amino(carboxy)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(S)-amino(carboxy)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(S)-amino(carboxy)methyl]pyridine-2-carboxylic acid is N[C@H](C(=O)O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(S)-amino(carboxy)methyl]pyridine-2-carboxylic acid?
The InChIKey is JRCWYDVSMIPBGF-LURJTMIESA-N. The full InChI is InChI=1S/C8H8N2O4/c9-6(8(13)14)4-1-2-5(7(11)12)10-3-4/h1-3,6H,9H2,(H,11,12)(H,13,14)/t6-/m0/s1.
What are the key properties of 5-[(S)-amino(carboxy)methyl]pyridine-2-carboxylic acid?
5-[(S)-amino(carboxy)methyl]pyridine-2-carboxylic acid has a molecular weight of 196.16 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(S)-amino(carboxy)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 130679702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).