(3-oxo-4-pyridin-2-ylbutan-2-yl)carbamic acid

C10H12N2O3 — CID 67240305

IUPAC(3-oxo-4-pyridin-2-ylbutan-2-yl)carbamic acid
SMILESCC(NC(=O)O)C(=O)Cc1ccccn1
InChIInChI=1S/C10H12N2O3/c1-7(12-10(14)15)9(13)6-8-4-2-3-5-11-8/h2-5,7,12H,6H2,1H3,(H,14,15)
InChIKeyKUBXYVPSQZBKSW-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.85
Rot. Bonds4

About (3-oxo-4-pyridin-2-ylbutan-2-yl)carbamic acid

(3-oxo-4-pyridin-2-ylbutan-2-yl)carbamic acid (PubChem CID 67240305) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (3-oxo-4-pyridin-2-ylbutan-2-yl)carbamic acid.

Molecular Properties

Compound Name(3-oxo-4-pyridin-2-ylbutan-2-yl)carbamic acid
PubChem CID67240305
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(3-oxo-4-pyridin-2-ylbutan-2-yl)carbamic acid
SMILESCC(NC(=O)O)C(=O)Cc1ccccn1
InChIInChI=1S/C10H12N2O3/c1-7(12-10(14)15)9(13)6-8-4-2-3-5-11-8/h2-5,7,12H,6H2,1H3,(H,14,15)
InChIKeyKUBXYVPSQZBKSW-UHFFFAOYSA-N
XLogP0.85
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methane;3-methyl-1-pyridin-2-ylbutan-2-one
CID 159764567
3-methyl-4-(methylamino)-1-pyridin-2-ylbutan-2-one
CID 116586998
3-hydroxy-2-[(2-pyridin-2-ylacetyl)amino]butanoic acid
CID 43151207
(2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid
CID 90150229
benzyl N-[(3S)-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]carbamate
CID 46702033
N-(4-hydroxybutan-2-yl)-2-pyridin-2-ylacetamide
CID 83188668
CID 131857449
CID 131857449
(1-phenyl-2-pyridin-2-ylethyl)carbamic acid
CID 134541861
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyridin-2-ylacetamide
CID 79246224
(2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 81454532
benzyl N-[(2S)-1-oxo-1-[(2-pyridin-2-ylacetyl)amino]propan-2-yl]carbamate
CID 70392835
4,4,4-trifluoro-1-pyridin-2-yl-3-(trifluoromethyl)butan-2-one
CID 103311490

Frequently Asked Questions

What is the IUPAC name of (3-oxo-4-pyridin-2-ylbutan-2-yl)carbamic acid?
The IUPAC name of (3-oxo-4-pyridin-2-ylbutan-2-yl)carbamic acid (CID 67240305) is (3-oxo-4-pyridin-2-ylbutan-2-yl)carbamic acid.
What is the SMILES notation for (3-oxo-4-pyridin-2-ylbutan-2-yl)carbamic acid?
The canonical SMILES for (3-oxo-4-pyridin-2-ylbutan-2-yl)carbamic acid is CC(NC(=O)O)C(=O)Cc1ccccn1.
What is the InChIKey of (3-oxo-4-pyridin-2-ylbutan-2-yl)carbamic acid?
The InChIKey is KUBXYVPSQZBKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7(12-10(14)15)9(13)6-8-4-2-3-5-11-8/h2-5,7,12H,6H2,1H3,(H,14,15).
What are the key properties of (3-oxo-4-pyridin-2-ylbutan-2-yl)carbamic acid?
(3-oxo-4-pyridin-2-ylbutan-2-yl)carbamic acid has a molecular weight of 208.22 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-4-pyridin-2-ylbutan-2-yl)carbamic acid is sourced from PubChem (CID 67240305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).