2-[cyclopropylmethyl(2-pyrazol-1-ylethylcarbamoyl)amino]acetic acid

C12H18N4O3 — CID 61461201

IUPAC2-[cyclopropylmethyl(2-pyrazol-1-ylethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)NCCn1cccn1
InChIInChI=1S/C12H18N4O3/c17-11(18)9-15(8-10-2-3-10)12(19)13-5-7-16-6-1-4-14-16/h1,4,6,10H,2-3,5,7-9H2,(H,13,19)(H,17,18)
InChIKeyZTSKWLNXSNMUHI-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.39
Rot. Bonds7

About 2-[cyclopropylmethyl(2-pyrazol-1-ylethylcarbamoyl)amino]acetic acid

2-[cyclopropylmethyl(2-pyrazol-1-ylethylcarbamoyl)amino]acetic acid (PubChem CID 61461201) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(2-pyrazol-1-ylethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(2-pyrazol-1-ylethylcarbamoyl)amino]acetic acid
PubChem CID61461201
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[cyclopropylmethyl(2-pyrazol-1-ylethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)NCCn1cccn1
InChIInChI=1S/C12H18N4O3/c17-11(18)9-15(8-10-2-3-10)12(19)13-5-7-16-6-1-4-14-16/h1,4,6,10H,2-3,5,7-9H2,(H,13,19)(H,17,18)
InChIKeyZTSKWLNXSNMUHI-UHFFFAOYSA-N
XLogP0.39
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea
CID 115629319
2-[cyclopropylmethyl-[[3-(ethylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
CID 113410869
2-[2-methylpropyl(3-pyrazol-1-ylpropylcarbamoyl)amino]acetic acid
CID 103995728
5-(2-pyrazol-1-ylethylcarbamoyl)oxolane-2-carboxylic acid
CID 102688336
2-[2-(cyclopropanecarbonylamino)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 103994352
2-[cyclopropylmethyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]acetic acid
CID 63330568
2-methyl-2-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]propanoic acid
CID 62821667
2-[cyclopropylmethyl-[3-(3-pyrazol-1-ylpropanoylamino)cyclobutyl]amino]acetic acid
CID 167774042
4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784513
3-cyclopropyl-2-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid
CID 114188996
2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid
CID 61461230
4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid
CID 61460027

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(2-pyrazol-1-ylethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(2-pyrazol-1-ylethylcarbamoyl)amino]acetic acid (CID 61461201) is 2-[cyclopropylmethyl(2-pyrazol-1-ylethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(2-pyrazol-1-ylethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(2-pyrazol-1-ylethylcarbamoyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)NCCn1cccn1.
What is the InChIKey of 2-[cyclopropylmethyl(2-pyrazol-1-ylethylcarbamoyl)amino]acetic acid?
The InChIKey is ZTSKWLNXSNMUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c17-11(18)9-15(8-10-2-3-10)12(19)13-5-7-16-6-1-4-14-16/h1,4,6,10H,2-3,5,7-9H2,(H,13,19)(H,17,18).
What are the key properties of 2-[cyclopropylmethyl(2-pyrazol-1-ylethylcarbamoyl)amino]acetic acid?
2-[cyclopropylmethyl(2-pyrazol-1-ylethylcarbamoyl)amino]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(2-pyrazol-1-ylethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 61461201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).