(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid

C9H11N3O4 — CID 104741912

IUPAC(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
SMILESNc1cccnc1C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C9H11N3O4/c10-5-2-1-3-11-7(5)8(14)12-6(4-13)9(15)16/h1-3,6,13H,4,10H2,(H,12,14)(H,15,16)/t6-/m0/s1
InChIKeyYNPRIKHBGJXPGO-LURJTMIESA-N
MW225.20 g/mol
LogP-1.16
Rot. Bonds4

About (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid

(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid (PubChem CID 104741912) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
PubChem CID104741912
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
SMILESNc1cccnc1C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C9H11N3O4/c10-5-2-1-3-11-7(5)8(14)12-6(4-13)9(15)16/h1-3,6,13H,4,10H2,(H,12,14)(H,15,16)/t6-/m0/s1
InChIKeyYNPRIKHBGJXPGO-LURJTMIESA-N
XLogP-1.16
TPSA125.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 104741915
(2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid
CID 80750927
(2S)-2-[(3-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 107517042
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]hexanedioic acid
CID 107835532
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]propanoic acid
CID 104742099
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 104741916
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylpentanoic acid
CID 104741920
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate
CID 104741240
3-[(3-aminopyridine-2-carbonyl)amino]pentanoic acid
CID 104742756
2-[(3-aminopyridine-2-carbonyl)amino]-2-cyclohexylacetic acid
CID 104741907
4-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acid
CID 61243452
3-[(3-aminopyridine-2-carbonyl)amino]-4,4-dimethylpentanoic acid
CID 104742758

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid (CID 104741912) is (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid is Nc1cccnc1C(=O)N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid?
The InChIKey is YNPRIKHBGJXPGO-LURJTMIESA-N. The full InChI is InChI=1S/C9H11N3O4/c10-5-2-1-3-11-7(5)8(14)12-6(4-13)9(15)16/h1-3,6,13H,4,10H2,(H,12,14)(H,15,16)/t6-/m0/s1.
What are the key properties of (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid?
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid has a molecular weight of 225.20 g/mol, XLogP of -1.16, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 104741912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).