(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid

C10H13N3O3 — CID 107338226

IUPAC(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid
SMILESC[C@H](NC(=O)Cc1ccc(N)cn1)C(=O)O
InChIInChI=1S/C10H13N3O3/c1-6(10(15)16)13-9(14)4-8-3-2-7(11)5-12-8/h2-3,5-6H,4,11H2,1H3,(H,13,14)(H,15,16)/t6-/m0/s1
InChIKeyFQQPVXMGSRDFDU-LURJTMIESA-N
MW223.23 g/mol
LogP-0.20
Rot. Bonds4

About (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid

(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid (PubChem CID 107338226) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid
PubChem CID107338226
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid
SMILESC[C@H](NC(=O)Cc1ccc(N)cn1)C(=O)O
InChIInChI=1S/C10H13N3O3/c1-6(10(15)16)13-9(14)4-8-3-2-7(11)5-12-8/h2-3,5-6H,4,11H2,1H3,(H,13,14)(H,15,16)/t6-/m0/s1
InChIKeyFQQPVXMGSRDFDU-LURJTMIESA-N
XLogP-0.20
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-methylbutanoic acid
CID 107339052
2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide
CID 107337332
2-(5-amino-2-pyridinyl)-N-[(1S)-1-phenylethyl]acetamide
CID 107338863
(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 107338218
2-(5-amino-2-pyridinyl)-N-(5-hydroxypentan-2-yl)acetamide
CID 107339254
(2S)-4-amino-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-oxobutanoic acid
CID 107824603
(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 107338809
2-(5-amino-2-pyridinyl)-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 120617873
methyl 3-[[2-(5-amino-2-pyridinyl)acetyl]amino]butanoate
CID 120618929
2-(5-amino-2-pyridinyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 107339685
2-(5-amino-2-pyridinyl)-N-(1-cyanopropan-2-yl)acetamide
CID 107338629
2-(5-amino-2-pyridinyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 107338393

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid (CID 107338226) is (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid is C[C@H](NC(=O)Cc1ccc(N)cn1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid?
The InChIKey is FQQPVXMGSRDFDU-LURJTMIESA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6(10(15)16)13-9(14)4-8-3-2-7(11)5-12-8/h2-3,5-6H,4,11H2,1H3,(H,13,14)(H,15,16)/t6-/m0/s1.
What are the key properties of (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid?
(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid has a molecular weight of 223.23 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 107338226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).