(2R)-2-[[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]amino]propanoic acid

C12H13N3O3 — CID 122049964

IUPAC(2R)-2-[[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]amino]propanoic acid
SMILESC#CCNC(=O)c1ccc(N[C@H](C)C(=O)O)nc1
InChIInChI=1S/C12H13N3O3/c1-3-6-13-11(16)9-4-5-10(14-7-9)15-8(2)12(17)18/h1,4-5,7-8H,6H2,2H3,(H,13,16)(H,14,15)(H,17,18)/t8-/m1/s1
InChIKeyVONFKQZAYJGFLT-MRVPVSSYSA-N
MW247.25 g/mol
LogP0.33
Rot. Bonds5

About (2R)-2-[[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]amino]propanoic acid

(2R)-2-[[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]amino]propanoic acid (PubChem CID 122049964) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is (2R)-2-[[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]amino]propanoic acid
PubChem CID122049964
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name(2R)-2-[[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]amino]propanoic acid
SMILESC#CCNC(=O)c1ccc(N[C@H](C)C(=O)O)nc1
InChIInChI=1S/C12H13N3O3/c1-3-6-13-11(16)9-4-5-10(14-7-9)15-8(2)12(17)18/h1,4-5,7-8H,6H2,2H3,(H,13,16)(H,14,15)(H,17,18)/t8-/m1/s1
InChIKeyVONFKQZAYJGFLT-MRVPVSSYSA-N
XLogP0.33
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-(1-carboxyethylamino)pyridine-3-carboxylic acid
CID 82357197
6-[[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 99828598
6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide
CID 133362088
6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133316628
N-prop-2-ynyl-6-[1-(4-pyrazol-1-ylphenyl)ethylamino]pyridine-3-carboxamide
CID 133327135
6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133477137
2-[(5-amino-2-pyridinyl)amino]propanoic acid
CID 117044543
6-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
CID 54959157
N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764076
6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133441783
2-[[5-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 122062569
N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764093

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]amino]propanoic acid (CID 122049964) is (2R)-2-[[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]amino]propanoic acid is C#CCNC(=O)c1ccc(N[C@H](C)C(=O)O)nc1.
What is the InChIKey of (2R)-2-[[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]amino]propanoic acid?
The InChIKey is VONFKQZAYJGFLT-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-3-6-13-11(16)9-4-5-10(14-7-9)15-8(2)12(17)18/h1,4-5,7-8H,6H2,2H3,(H,13,16)(H,14,15)(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-2-[[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]amino]propanoic acid?
(2R)-2-[[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]amino]propanoic acid has a molecular weight of 247.25 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]amino]propanoic acid is sourced from PubChem (CID 122049964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).