methyl 2-amino-3-[cyclopentylmethyl(methyl)amino]propanoate

C11H22N2O2 — CID 63632179

IUPACmethyl 2-amino-3-[cyclopentylmethyl(methyl)amino]propanoate
SMILESCOC(=O)C(N)CN(C)CC1CCCC1
InChIInChI=1S/C11H22N2O2/c1-13(7-9-5-3-4-6-9)8-10(12)11(14)15-2/h9-10H,3-8,12H2,1-2H3
InChIKeyCPCZFJCLSDONPO-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds5

About methyl 2-amino-3-[cyclopentylmethyl(methyl)amino]propanoate

methyl 2-amino-3-[cyclopentylmethyl(methyl)amino]propanoate (PubChem CID 63632179) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 2-amino-3-[cyclopentylmethyl(methyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[cyclopentylmethyl(methyl)amino]propanoate
PubChem CID63632179
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 2-amino-3-[cyclopentylmethyl(methyl)amino]propanoate
SMILESCOC(=O)C(N)CN(C)CC1CCCC1
InChIInChI=1S/C11H22N2O2/c1-13(7-9-5-3-4-6-9)8-10(12)11(14)15-2/h9-10H,3-8,12H2,1-2H3
InChIKeyCPCZFJCLSDONPO-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-amino-3-[cyclopentylmethyl(methyl)amino]propanoate 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

methyl 2-amino-4-[cyclobutylmethyl(methyl)amino]butanoate
CID 63054893
methyl 3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propanoate
CID 62861231
methyl 2-amino-3-[cyclopropylmethyl(ethyl)amino]propanoate
CID 63955898
methyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate
CID 64567717
N-(cyclopentylmethyl)-2,2-dimethoxy-N-methylethanamine
CID 66222142
3-N-(cyclopentylmethyl)-3-N-methylpropane-1,2,3-triamine
CID 115119915
methyl (2R)-2-amino-4-cyclohexylbutanoate
CID 150785903
methyl 2-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate
CID 62545953
methyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate
CID 62386645
methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride
CID 137346923
3-amino-4-[cyclopentylmethyl(methyl)amino]butan-1-ol
CID 64897715
2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 64787802

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[cyclopentylmethyl(methyl)amino]propanoate?
The IUPAC name of methyl 2-amino-3-[cyclopentylmethyl(methyl)amino]propanoate (CID 63632179) is methyl 2-amino-3-[cyclopentylmethyl(methyl)amino]propanoate.
What is the SMILES notation for methyl 2-amino-3-[cyclopentylmethyl(methyl)amino]propanoate?
The canonical SMILES for methyl 2-amino-3-[cyclopentylmethyl(methyl)amino]propanoate is COC(=O)C(N)CN(C)CC1CCCC1.
What is the InChIKey of methyl 2-amino-3-[cyclopentylmethyl(methyl)amino]propanoate?
The InChIKey is CPCZFJCLSDONPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-13(7-9-5-3-4-6-9)8-10(12)11(14)15-2/h9-10H,3-8,12H2,1-2H3.
What are the key properties of methyl 2-amino-3-[cyclopentylmethyl(methyl)amino]propanoate?
methyl 2-amino-3-[cyclopentylmethyl(methyl)amino]propanoate has a molecular weight of 214.31 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[cyclopentylmethyl(methyl)amino]propanoate is sourced from PubChem (CID 63632179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).