2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]acetic acid

C11H17N3O2 — CID 62125880

IUPAC2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]acetic acid
SMILESCCn1cc(CN(CC(=O)O)C2CC2)cn1
InChIInChI=1S/C11H17N3O2/c1-2-14-7-9(5-12-14)6-13(8-11(15)16)10-3-4-10/h5,7,10H,2-4,6,8H2,1H3,(H,15,16)
InChIKeyFKPJACJCBCRQHC-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.95
Rot. Bonds6

About 2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]acetic acid

2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]acetic acid (PubChem CID 62125880) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]acetic acid
PubChem CID62125880
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]acetic acid
SMILESCCn1cc(CN(CC(=O)O)C2CC2)cn1
InChIInChI=1S/C11H17N3O2/c1-2-14-7-9(5-12-14)6-13(8-11(15)16)10-3-4-10/h5,7,10H,2-4,6,8H2,1H3,(H,15,16)
InChIKeyFKPJACJCBCRQHC-UHFFFAOYSA-N
XLogP0.95
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 55041385
2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]ethanol
CID 62128079
2-[cyclopentyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]acetic acid
CID 65058790
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-(4-methylcyclohexyl)acetamide
CID 154880338
2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetic acid;hydrochloride
CID 170903356
2-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]acetic acid
CID 62128174
2-[(1-ethylpyrazol-4-yl)methyl-prop-2-enylamino]acetic acid
CID 79276968
2-[cyclopropyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid
CID 65057571
2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride
CID 132891596
3-[tert-butyl-[(1-ethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 62125700
2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 121496520
2-[1-(1-ethylpyrazol-4-yl)ethyl-methylamino]acetic acid
CID 65056387

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]acetic acid (CID 62125880) is 2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]acetic acid is CCn1cc(CN(CC(=O)O)C2CC2)cn1.
What is the InChIKey of 2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]acetic acid?
The InChIKey is FKPJACJCBCRQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-14-7-9(5-12-14)6-13(8-11(15)16)10-3-4-10/h5,7,10H,2-4,6,8H2,1H3,(H,15,16).
What are the key properties of 2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]acetic acid?
2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]acetic acid has a molecular weight of 223.28 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]acetic acid is sourced from PubChem (CID 62125880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).