3-[(1S)-1,2-diaminoethyl]pyridine-2-carboxylic acid

C8H11N3O2 — CID 55274136

IUPAC3-[(1S)-1,2-diaminoethyl]pyridine-2-carboxylic acid
SMILESNC[C@@H](N)c1cccnc1C(=O)O
InChIInChI=1S/C8H11N3O2/c9-4-6(10)5-2-1-3-11-7(5)8(12)13/h1-3,6H,4,9-10H2,(H,12,13)/t6-/m1/s1
InChIKeyIEYIGPSKZIVVTP-ZCFIWIBFSA-N
MW181.19 g/mol
LogP-0.26
Rot. Bonds3

About 3-[(1S)-1,2-diaminoethyl]pyridine-2-carboxylic acid

3-[(1S)-1,2-diaminoethyl]pyridine-2-carboxylic acid (PubChem CID 55274136) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-[(1S)-1,2-diaminoethyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(1S)-1,2-diaminoethyl]pyridine-2-carboxylic acid
PubChem CID55274136
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name3-[(1S)-1,2-diaminoethyl]pyridine-2-carboxylic acid
SMILESNC[C@@H](N)c1cccnc1C(=O)O
InChIInChI=1S/C8H11N3O2/c9-4-6(10)5-2-1-3-11-7(5)8(12)13/h1-3,6H,4,9-10H2,(H,12,13)/t6-/m1/s1
InChIKeyIEYIGPSKZIVVTP-ZCFIWIBFSA-N
XLogP-0.26
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[amino(carboxy)methyl]pyridine-2-carboxylic acid
CID 55269011
3-benzhydrylpyridine-2-carboxylic acid
CID 22748745
1-quinolin-5-ylethane-1,2-diamine
CID 55275195
(1R)-1-quinolin-5-ylethane-1,2-diamine
CID 66516625
2-[(1R)-1,2-diaminoethyl]benzoic acid
CID 66516096
1-quinolin-8-ylethane-1,2-diamine
CID 63968089
2-[2-[(1R)-1,2-diaminoethyl]phenyl]acetic acid
CID 66516484
(1R)-1-(2-ethoxy-3-pyridinyl)ethane-1,2-diamine
CID 55291895
3-(1,2-diaminoethyl)phthalic acid
CID 175050908
pyridine-2,3-dicarboxylic acid
CID 1066
3-(3-aminopropoxy)pyridine-2-carboxylic acid
CID 63654419
(3R)-3-amino-3-(2-fluoro-3-pyridinyl)propanoic acid
CID 55293106

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1,2-diaminoethyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(1S)-1,2-diaminoethyl]pyridine-2-carboxylic acid (CID 55274136) is 3-[(1S)-1,2-diaminoethyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(1S)-1,2-diaminoethyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(1S)-1,2-diaminoethyl]pyridine-2-carboxylic acid is NC[C@@H](N)c1cccnc1C(=O)O.
What is the InChIKey of 3-[(1S)-1,2-diaminoethyl]pyridine-2-carboxylic acid?
The InChIKey is IEYIGPSKZIVVTP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-4-6(10)5-2-1-3-11-7(5)8(12)13/h1-3,6H,4,9-10H2,(H,12,13)/t6-/m1/s1.
What are the key properties of 3-[(1S)-1,2-diaminoethyl]pyridine-2-carboxylic acid?
3-[(1S)-1,2-diaminoethyl]pyridine-2-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of -0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1,2-diaminoethyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 55274136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).