2-cyclopropyl-2-(pyridin-2-ylmethylcarbamoylamino)acetic acid

C12H15N3O3 — CID 62709675

IUPAC2-cyclopropyl-2-(pyridin-2-ylmethylcarbamoylamino)acetic acid
SMILESO=C(NCc1ccccn1)NC(C(=O)O)C1CC1
InChIInChI=1S/C12H15N3O3/c16-11(17)10(8-4-5-8)15-12(18)14-7-9-3-1-2-6-13-9/h1-3,6,8,10H,4-5,7H2,(H,16,17)(H2,14,15,18)
InChIKeyQDKRHIYKCPSFEI-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.74
Rot. Bonds5

About 2-cyclopropyl-2-(pyridin-2-ylmethylcarbamoylamino)acetic acid

2-cyclopropyl-2-(pyridin-2-ylmethylcarbamoylamino)acetic acid (PubChem CID 62709675) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-(pyridin-2-ylmethylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(pyridin-2-ylmethylcarbamoylamino)acetic acid
PubChem CID62709675
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-cyclopropyl-2-(pyridin-2-ylmethylcarbamoylamino)acetic acid
SMILESO=C(NCc1ccccn1)NC(C(=O)O)C1CC1
InChIInChI=1S/C12H15N3O3/c16-11(17)10(8-4-5-8)15-12(18)14-7-9-3-1-2-6-13-9/h1-3,6,8,10H,4-5,7H2,(H,16,17)(H2,14,15,18)
InChIKeyQDKRHIYKCPSFEI-UHFFFAOYSA-N
XLogP0.74
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 51469806
2-methyl-6-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid
CID 65289685
2-(benzylcarbamoylamino)-2-cyclohexylacetic acid
CID 61182880
3-methyl-2-(pyridin-2-ylmethylcarbamoylamino)pentanoic acid
CID 3373459
1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea
CID 108910258
2-cyclopropyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid
CID 63826114
2-cyclohexyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid
CID 61195980
1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-(pyridin-2-ylmethyl)urea
CID 95158324
1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108899435
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
(2R,3S)-3-(pyridin-2-ylmethylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
CID 40635560
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(pyridin-2-ylmethylcarbamoylamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(pyridin-2-ylmethylcarbamoylamino)acetic acid (CID 62709675) is 2-cyclopropyl-2-(pyridin-2-ylmethylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(pyridin-2-ylmethylcarbamoylamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(pyridin-2-ylmethylcarbamoylamino)acetic acid is O=C(NCc1ccccn1)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(pyridin-2-ylmethylcarbamoylamino)acetic acid?
The InChIKey is QDKRHIYKCPSFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-11(17)10(8-4-5-8)15-12(18)14-7-9-3-1-2-6-13-9/h1-3,6,8,10H,4-5,7H2,(H,16,17)(H2,14,15,18).
What are the key properties of 2-cyclopropyl-2-(pyridin-2-ylmethylcarbamoylamino)acetic acid?
2-cyclopropyl-2-(pyridin-2-ylmethylcarbamoylamino)acetic acid has a molecular weight of 249.27 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(pyridin-2-ylmethylcarbamoylamino)acetic acid is sourced from PubChem (CID 62709675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).