2-[cyclopropylmethyl-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]amino]acetic acid

C12H18N4O3 — CID 113364523

IUPAC2-[cyclopropylmethyl-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]amino]acetic acid
SMILESCC(NC(=O)N(CC(=O)O)CC1CC1)c1cn[nH]c1
InChIInChI=1S/C12H18N4O3/c1-8(10-4-13-14-5-10)15-12(19)16(7-11(17)18)6-9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,14)(H,15,19)(H,17,18)
InChIKeyBAOVSKMUDKECOD-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.98
Rot. Bonds6

About 2-[cyclopropylmethyl-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]amino]acetic acid

2-[cyclopropylmethyl-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]amino]acetic acid (PubChem CID 113364523) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]amino]acetic acid
PubChem CID113364523
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[cyclopropylmethyl-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]amino]acetic acid
SMILESCC(NC(=O)N(CC(=O)O)CC1CC1)c1cn[nH]c1
InChIInChI=1S/C12H18N4O3/c1-8(10-4-13-14-5-10)15-12(19)16(7-11(17)18)6-9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,14)(H,15,19)(H,17,18)
InChIKeyBAOVSKMUDKECOD-UHFFFAOYSA-N
XLogP0.98
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropylmethyl-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]amino]acetic acid
CID 61475859
4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114159493
2-[cyclopropylmethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid
CID 54959971
2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid
CID 106215532
1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 114159335
2-[cyclopropylmethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]acetic acid
CID 65048420
1-(cyclopropylmethyl)-1-propyl-3-(1-pyridin-4-ylethyl)urea
CID 86999671
2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114158369
2-[2-methylpropyl(1-phenylethylcarbamoyl)amino]acetic acid
CID 63064367
3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 106212734
3-(cyclopropylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212808
3-methoxy-4-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 106215570

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]amino]acetic acid (CID 113364523) is 2-[cyclopropylmethyl-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]amino]acetic acid is CC(NC(=O)N(CC(=O)O)CC1CC1)c1cn[nH]c1.
What is the InChIKey of 2-[cyclopropylmethyl-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]amino]acetic acid?
The InChIKey is BAOVSKMUDKECOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8(10-4-13-14-5-10)15-12(19)16(7-11(17)18)6-9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,14)(H,15,19)(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]amino]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 113364523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).