cyclopropylmethyl 4-amino-2-methylbutanoate

C9H17NO2 — CID 80540087

IUPACcyclopropylmethyl 4-amino-2-methylbutanoate
SMILESCC(CCN)C(=O)OCC1CC1
InChIInChI=1S/C9H17NO2/c1-7(4-5-10)9(11)12-6-8-2-3-8/h7-8H,2-6,10H2,1H3
InChIKeyWAPNPZPIZFQPNN-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.92
Rot. Bonds5

About cyclopropylmethyl 4-amino-2-methylbutanoate

cyclopropylmethyl 4-amino-2-methylbutanoate (PubChem CID 80540087) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is cyclopropylmethyl 4-amino-2-methylbutanoate.

Molecular Properties

Compound Namecyclopropylmethyl 4-amino-2-methylbutanoate
PubChem CID80540087
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namecyclopropylmethyl 4-amino-2-methylbutanoate
SMILESCC(CCN)C(=O)OCC1CC1
InChIInChI=1S/C9H17NO2/c1-7(4-5-10)9(11)12-6-8-2-3-8/h7-8H,2-6,10H2,1H3
InChIKeyWAPNPZPIZFQPNN-UHFFFAOYSA-N
XLogP0.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclopropylmethyl 4-amino-2-methylbutanoate 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

cyclopropylmethyl 2-methylhexanoate
CID 67151240
oxan-4-ylmethyl 5-amino-2-methylpentanoate
CID 104686033
cyclopropylmethyl 2-sulfanylpropanoate
CID 107018198
cyclopropylmethyl 2-amino-3-methylpentanoate
CID 61150459
oxolan-3-ylmethyl 5-amino-2-methylpentanoate
CID 104686029
4-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide
CID 80543097
oxan-4-ylmethyl 6-amino-2-methylheptanoate
CID 65285134
bis(cyclopentylmethyl) 2-methylpropanedioate
CID 174545990
cyclopentylmethyl 2-methylpropanoate
CID 21063892
cyclopropylmethyl 2-methoxy-3-methylbutanoate
CID 156662867
cyclopropylmethyl (2S)-2-aminopentanoate
CID 107565685
(4-methylcyclohexyl) 4-amino-2-methylbutanoate
CID 80539770

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 4-amino-2-methylbutanoate?
The IUPAC name of cyclopropylmethyl 4-amino-2-methylbutanoate (CID 80540087) is cyclopropylmethyl 4-amino-2-methylbutanoate.
What is the SMILES notation for cyclopropylmethyl 4-amino-2-methylbutanoate?
The canonical SMILES for cyclopropylmethyl 4-amino-2-methylbutanoate is CC(CCN)C(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 4-amino-2-methylbutanoate?
The InChIKey is WAPNPZPIZFQPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(4-5-10)9(11)12-6-8-2-3-8/h7-8H,2-6,10H2,1H3.
What are the key properties of cyclopropylmethyl 4-amino-2-methylbutanoate?
cyclopropylmethyl 4-amino-2-methylbutanoate has a molecular weight of 171.24 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 4-amino-2-methylbutanoate is sourced from PubChem (CID 80540087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).