3-cyclopropyl-2-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid

C12H18N4O3 — CID 114188996

IUPAC3-cyclopropyl-2-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid
SMILESO=C(NCCn1cccn1)NC(CC1CC1)C(=O)O
InChIInChI=1S/C12H18N4O3/c17-11(18)10(8-9-2-3-9)15-12(19)13-5-7-16-6-1-4-14-16/h1,4,6,9-10H,2-3,5,7-8H2,(H,17,18)(H2,13,15,19)
InChIKeyROKKNWZLMFZFCQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.44
Rot. Bonds7

About 3-cyclopropyl-2-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid

3-cyclopropyl-2-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid (PubChem CID 114188996) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-cyclopropyl-2-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid
PubChem CID114188996
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name3-cyclopropyl-2-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid
SMILESO=C(NCCn1cccn1)NC(CC1CC1)C(=O)O
InChIInChI=1S/C12H18N4O3/c17-11(18)10(8-9-2-3-9)15-12(19)13-5-7-16-6-1-4-14-16/h1,4,6,9-10H,2-3,5,7-8H2,(H,17,18)(H2,13,15,19)
InChIKeyROKKNWZLMFZFCQ-UHFFFAOYSA-N
XLogP0.44
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-amino-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid
CID 107826754
(2S)-4-methoxy-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid
CID 63305203
1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-(2-pyrazol-1-ylethyl)urea
CID 99620513
(2S)-4-hydroxy-2-(3-pyrazol-1-ylpropylcarbamoylamino)butanoic acid
CID 114005816
5-amino-5-oxo-2-(3-pyrazol-1-ylpropylcarbamoylamino)pentanoic acid
CID 103995727
1-(1-cyclopropylethyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47221371
3-cyclopropyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 112735110
2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid
CID 61461230
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784513
2-[cyclopropylmethyl(2-pyrazol-1-ylethylcarbamoyl)amino]acetic acid
CID 61461201
(2S)-3-cyclopropyl-2-[3-(dimethylamino)propylcarbamoylamino]propanoic acid
CID 112734882

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid?
The IUPAC name of 3-cyclopropyl-2-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid (CID 114188996) is 3-cyclopropyl-2-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid is O=C(NCCn1cccn1)NC(CC1CC1)C(=O)O.
What is the InChIKey of 3-cyclopropyl-2-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid?
The InChIKey is ROKKNWZLMFZFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c17-11(18)10(8-9-2-3-9)15-12(19)13-5-7-16-6-1-4-14-16/h1,4,6,9-10H,2-3,5,7-8H2,(H,17,18)(H2,13,15,19).
What are the key properties of 3-cyclopropyl-2-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid?
3-cyclopropyl-2-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 114188996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).