(2R)-2-amino-2-(2-amino-2-oxoethyl)-3-oxo-4-pyridin-4-ylbutanoic acid

C11H13N3O4 — CID 135150943

IUPAC(2R)-2-amino-2-(2-amino-2-oxoethyl)-3-oxo-4-pyridin-4-ylbutanoic acid
SMILESNC(=O)C[C@](N)(C(=O)O)C(=O)Cc1ccncc1
InChIInChI=1S/C11H13N3O4/c12-9(16)6-11(13,10(17)18)8(15)5-7-1-3-14-4-2-7/h1-4H,5-6,13H2,(H2,12,16)(H,17,18)/t11-/m1/s1
InChIKeyZQCSHPNFQCZPOC-LLVKDONJSA-N
MW251.24 g/mol
LogP-1.15
Rot. Bonds6

About (2R)-2-amino-2-(2-amino-2-oxoethyl)-3-oxo-4-pyridin-4-ylbutanoic acid

(2R)-2-amino-2-(2-amino-2-oxoethyl)-3-oxo-4-pyridin-4-ylbutanoic acid (PubChem CID 135150943) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-amino-2-oxoethyl)-3-oxo-4-pyridin-4-ylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-amino-2-oxoethyl)-3-oxo-4-pyridin-4-ylbutanoic acid
PubChem CID135150943
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name(2R)-2-amino-2-(2-amino-2-oxoethyl)-3-oxo-4-pyridin-4-ylbutanoic acid
SMILESNC(=O)C[C@](N)(C(=O)O)C(=O)Cc1ccncc1
InChIInChI=1S/C11H13N3O4/c12-9(16)6-11(13,10(17)18)8(15)5-7-1-3-14-4-2-7/h1-4H,5-6,13H2,(H2,12,16)(H,17,18)/t11-/m1/s1
InChIKeyZQCSHPNFQCZPOC-LLVKDONJSA-N
XLogP-1.15
TPSA136.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-2-(pyridine-4-carbonyl)butanedioic acid
CID 150341133
ethyl 2,2-difluoro-3-oxo-4-pyridin-4-ylbutanoate
CID 62551421
2-amino-2-(2-phenylacetyl)pentanedioic acid
CID 23292574
2-phenylacetamide;pyridine
CID 22283001
1-(3,6-dimethylpyridazin-4-yl)-2-pyridin-4-ylethanone
CID 105110455
(2S)-2-amino-2,3,3-trimethyl-4-pyridin-4-ylbutanamide
CID 171044369
2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine
CID 139087682
5-amino-1-pyridin-4-ylpentan-2-one
CID 116553409
(1R)-1-amino-1-phenyl-3-pyridin-4-ylpropan-2-one
CID 104891227
2-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]acetic acid
CID 103236241
1,1-difluoro-3-pyridin-4-ylpropan-2-one
CID 112699124
2-pyridin-4-ylethanimidamide
CID 5078674

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-amino-2-oxoethyl)-3-oxo-4-pyridin-4-ylbutanoic acid?
The IUPAC name of (2R)-2-amino-2-(2-amino-2-oxoethyl)-3-oxo-4-pyridin-4-ylbutanoic acid (CID 135150943) is (2R)-2-amino-2-(2-amino-2-oxoethyl)-3-oxo-4-pyridin-4-ylbutanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(2-amino-2-oxoethyl)-3-oxo-4-pyridin-4-ylbutanoic acid?
The canonical SMILES for (2R)-2-amino-2-(2-amino-2-oxoethyl)-3-oxo-4-pyridin-4-ylbutanoic acid is NC(=O)C[C@](N)(C(=O)O)C(=O)Cc1ccncc1.
What is the InChIKey of (2R)-2-amino-2-(2-amino-2-oxoethyl)-3-oxo-4-pyridin-4-ylbutanoic acid?
The InChIKey is ZQCSHPNFQCZPOC-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13N3O4/c12-9(16)6-11(13,10(17)18)8(15)5-7-1-3-14-4-2-7/h1-4H,5-6,13H2,(H2,12,16)(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-2-(2-amino-2-oxoethyl)-3-oxo-4-pyridin-4-ylbutanoic acid?
(2R)-2-amino-2-(2-amino-2-oxoethyl)-3-oxo-4-pyridin-4-ylbutanoic acid has a molecular weight of 251.24 g/mol, XLogP of -1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-amino-2-oxoethyl)-3-oxo-4-pyridin-4-ylbutanoic acid is sourced from PubChem (CID 135150943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).