2-(aminomethyl)-2-cyclopropyl-3-(1-methylpyrazol-4-yl)propanoic acid

C11H17N3O2 — CID 106489762

IUPAC2-(aminomethyl)-2-cyclopropyl-3-(1-methylpyrazol-4-yl)propanoic acid
SMILESCn1cc(CC(CN)(C(=O)O)C2CC2)cn1
InChIInChI=1S/C11H17N3O2/c1-14-6-8(5-13-14)4-11(7-12,10(15)16)9-2-3-9/h5-6,9H,2-4,7,12H2,1H3,(H,15,16)
InChIKeyDCLGRLPOPZOLRQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.40
Rot. Bonds5

About 2-(aminomethyl)-2-cyclopropyl-3-(1-methylpyrazol-4-yl)propanoic acid

2-(aminomethyl)-2-cyclopropyl-3-(1-methylpyrazol-4-yl)propanoic acid (PubChem CID 106489762) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(aminomethyl)-2-cyclopropyl-3-(1-methylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-cyclopropyl-3-(1-methylpyrazol-4-yl)propanoic acid
PubChem CID106489762
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(aminomethyl)-2-cyclopropyl-3-(1-methylpyrazol-4-yl)propanoic acid
SMILESCn1cc(CC(CN)(C(=O)O)C2CC2)cn1
InChIInChI=1S/C11H17N3O2/c1-14-6-8(5-13-14)4-11(7-12,10(15)16)9-2-3-9/h5-6,9H,2-4,7,12H2,1H3,(H,15,16)
InChIKeyDCLGRLPOPZOLRQ-UHFFFAOYSA-N
XLogP0.40
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-4-yl)ethane-1,1,1-tricarboxylic acid
CID 91254257
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride
CID 119572498
2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 112566058
3,3-dimethyl-4-(1-methylpyrazol-4-yl)butanoic acid
CID 81004127
3-(aminomethyl)-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116610954
2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 112567841
2-(aminomethyl)-4-(1-methylpyrazol-4-yl)-2-phenylbutanoic acid
CID 106489399
2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride
CID 156589324
1-cyclopentyl-2-(1-methylpyrazol-4-yl)ethanone
CID 62127487
3-amino-N,2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide;dihydrochloride
CID 119834041
2,2,3-trimethyl-3-[(1-methylpyrazol-4-yl)methylamino]butanoic acid
CID 65265166
2-cyclopentyl-2-methoxycarbonyl-4-(1-methylpyrazol-4-yl)butanoic acid
CID 103023327

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-cyclopropyl-3-(1-methylpyrazol-4-yl)propanoic acid?
The IUPAC name of 2-(aminomethyl)-2-cyclopropyl-3-(1-methylpyrazol-4-yl)propanoic acid (CID 106489762) is 2-(aminomethyl)-2-cyclopropyl-3-(1-methylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-cyclopropyl-3-(1-methylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-cyclopropyl-3-(1-methylpyrazol-4-yl)propanoic acid is Cn1cc(CC(CN)(C(=O)O)C2CC2)cn1.
What is the InChIKey of 2-(aminomethyl)-2-cyclopropyl-3-(1-methylpyrazol-4-yl)propanoic acid?
The InChIKey is DCLGRLPOPZOLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14-6-8(5-13-14)4-11(7-12,10(15)16)9-2-3-9/h5-6,9H,2-4,7,12H2,1H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-2-cyclopropyl-3-(1-methylpyrazol-4-yl)propanoic acid?
2-(aminomethyl)-2-cyclopropyl-3-(1-methylpyrazol-4-yl)propanoic acid has a molecular weight of 223.28 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-cyclopropyl-3-(1-methylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 106489762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).