2-[(S)-amino(cyclopropyl)methyl]pyridine-4-carboxylic acid

C10H12N2O2 — CID 130665479

IUPAC2-[(S)-amino(cyclopropyl)methyl]pyridine-4-carboxylic acid
SMILESN[C@H](c1cc(C(=O)O)ccn1)C1CC1
InChIInChI=1S/C10H12N2O2/c11-9(6-1-2-6)8-5-7(10(13)14)3-4-12-8/h3-6,9H,1-2,11H2,(H,13,14)/t9-/m0/s1
InChIKeyAUBOFOBIIWHHPX-VIFPVBQESA-N
MW192.22 g/mol
LogP1.19
Rot. Bonds3

About 2-[(S)-amino(cyclopropyl)methyl]pyridine-4-carboxylic acid

2-[(S)-amino(cyclopropyl)methyl]pyridine-4-carboxylic acid (PubChem CID 130665479) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-[(S)-amino(cyclopropyl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(S)-amino(cyclopropyl)methyl]pyridine-4-carboxylic acid
PubChem CID130665479
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-[(S)-amino(cyclopropyl)methyl]pyridine-4-carboxylic acid
SMILESN[C@H](c1cc(C(=O)O)ccn1)C1CC1
InChIInChI=1S/C10H12N2O2/c11-9(6-1-2-6)8-5-7(10(13)14)3-4-12-8/h3-6,9H,1-2,11H2,(H,13,14)/t9-/m0/s1
InChIKeyAUBOFOBIIWHHPX-VIFPVBQESA-N
XLogP1.19
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-amino-2-chloro-2-oxoethyl]pyridine-4-carboxylic acid
CID 87530358
[2-[(R)-amino(cyclopropyl)methyl]-4-pyridinyl]methanol
CID 55277194
2-[(1S)-1-amino-2-methoxyethyl]pyridine-4-carboxylic acid
CID 55268372
(R)-cyclopropyl-(4-methoxy-2-pyridinyl)methanamine;hydrochloride
CID 146456184
3-[(R)-amino(cyclopropyl)methyl]-4-fluorobenzoic acid
CID 162344495
2-(dicyclopropylmethylcarbamoyl)pyridine-4-carboxylic acid
CID 122055105
3-[amino(cyclobutyl)methyl]benzoic acid
CID 105457514
hydrazine;pyridine-2,4-dicarboxylic acid
CID 71369189
2-pyrrolidin-3-ylpyridine-4-carboxylic acid
CID 115018963
4-[cyclopropyl(hydroxy)methyl]pyridine-2-carboxylic acid
CID 167511421
2-[(2S)-piperidin-2-yl]pyridine-4-carboxylic acid
CID 97046760
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-amino(cyclopropyl)methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(S)-amino(cyclopropyl)methyl]pyridine-4-carboxylic acid (CID 130665479) is 2-[(S)-amino(cyclopropyl)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(S)-amino(cyclopropyl)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(S)-amino(cyclopropyl)methyl]pyridine-4-carboxylic acid is N[C@H](c1cc(C(=O)O)ccn1)C1CC1.
What is the InChIKey of 2-[(S)-amino(cyclopropyl)methyl]pyridine-4-carboxylic acid?
The InChIKey is AUBOFOBIIWHHPX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12N2O2/c11-9(6-1-2-6)8-5-7(10(13)14)3-4-12-8/h3-6,9H,1-2,11H2,(H,13,14)/t9-/m0/s1.
What are the key properties of 2-[(S)-amino(cyclopropyl)methyl]pyridine-4-carboxylic acid?
2-[(S)-amino(cyclopropyl)methyl]pyridine-4-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-amino(cyclopropyl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 130665479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).