2-(carbamoylamino)-2-pyridin-2-ylpropanoic acid

C9H11N3O3 — CID 70071240

IUPAC2-(carbamoylamino)-2-pyridin-2-ylpropanoic acid
SMILESCC(NC(N)=O)(C(=O)O)c1ccccn1
InChIInChI=1S/C9H11N3O3/c1-9(7(13)14,12-8(10)15)6-4-2-3-5-11-6/h2-5H,1H3,(H,13,14)(H3,10,12,15)
InChIKeyJJXIMPKKNSBCBV-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.05
Rot. Bonds3

About 2-(carbamoylamino)-2-pyridin-2-ylpropanoic acid

2-(carbamoylamino)-2-pyridin-2-ylpropanoic acid (PubChem CID 70071240) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-(carbamoylamino)-2-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name2-(carbamoylamino)-2-pyridin-2-ylpropanoic acid
PubChem CID70071240
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name2-(carbamoylamino)-2-pyridin-2-ylpropanoic acid
SMILESCC(NC(N)=O)(C(=O)O)c1ccccn1
InChIInChI=1S/C9H11N3O3/c1-9(7(13)14,12-8(10)15)6-4-2-3-5-11-6/h2-5H,1H3,(H,13,14)(H3,10,12,15)
InChIKeyJJXIMPKKNSBCBV-UHFFFAOYSA-N
XLogP0.05
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
2-(2-methylpropylamino)-2-pyridin-2-ylpropanoic acid
CID 61001676
2,2-dimethylpropanoic acid;pyridin-2-amine
CID 175228101
2-pyridin-2-ylpropan-2-yl carbamate
CID 67418657
methyl (2R)-2-(methylamino)-2-pyridin-2-ylpropanoate
CID 93309846
3-methyl-3-pyridin-2-ylbutanamide
CID 67998308
ethyl 2-(methylamino)-2-pyridin-2-ylpropanoate
CID 60788232
acetic acid;2-(1,1-difluoroethyl)pyridine
CID 174788262
2-[methyl(phenylmethoxycarbonyl)amino]-2-pyridin-2-ylpropanoic acid
CID 103664078
2-(2,2-dimethylpropyl)-4,4-dimethyl-2-pyridin-2-ylpentanamide
CID 3054960
methyl 2-methyl-2-pyridin-2-ylpropanoate
CID 58077167

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-2-pyridin-2-ylpropanoic acid?
The IUPAC name of 2-(carbamoylamino)-2-pyridin-2-ylpropanoic acid (CID 70071240) is 2-(carbamoylamino)-2-pyridin-2-ylpropanoic acid.
What is the SMILES notation for 2-(carbamoylamino)-2-pyridin-2-ylpropanoic acid?
The canonical SMILES for 2-(carbamoylamino)-2-pyridin-2-ylpropanoic acid is CC(NC(N)=O)(C(=O)O)c1ccccn1.
What is the InChIKey of 2-(carbamoylamino)-2-pyridin-2-ylpropanoic acid?
The InChIKey is JJXIMPKKNSBCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-9(7(13)14,12-8(10)15)6-4-2-3-5-11-6/h2-5H,1H3,(H,13,14)(H3,10,12,15).
What are the key properties of 2-(carbamoylamino)-2-pyridin-2-ylpropanoic acid?
2-(carbamoylamino)-2-pyridin-2-ylpropanoic acid has a molecular weight of 209.21 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-2-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 70071240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).