3-[cyclopentylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid

C17H26N2O2 — CID 63632518

IUPAC3-[cyclopentylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid
SMILESCNC(CN(C)CC1CCCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-18-17(16(20)21,15-10-4-3-5-11-15)13-19(2)12-14-8-6-7-9-14/h3-5,10-11,14,18H,6-9,12-13H2,1-2H3,(H,20,21)
InChIKeyQRBCDDNOOZEQAZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.31
Rot. Bonds7

About 3-[cyclopentylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid

3-[cyclopentylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid (PubChem CID 63632518) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[cyclopentylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[cyclopentylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid
PubChem CID63632518
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[cyclopentylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid
SMILESCNC(CN(C)CC1CCCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-18-17(16(20)21,15-10-4-3-5-11-15)13-19(2)12-14-8-6-7-9-14/h3-5,10-11,14,18H,6-9,12-13H2,1-2H3,(H,20,21)
InChIKeyQRBCDDNOOZEQAZ-UHFFFAOYSA-N
XLogP2.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid
CID 62861208
3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol
CID 64787052
methyl 3-(cyclopentylmethoxy)-2-(methylamino)-2-phenylpropanoate
CID 66321617
N-(cyclopentylmethyl)-N'-ethyl-N,2-dimethyl-2-phenylpropane-1,3-diamine
CID 63631647
2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(methylamino)propanoic acid
CID 63910926
methyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate
CID 106204595
4-[cyclopropyl(ethyl)amino]-2-(methylamino)-2-phenylbutanoic acid
CID 116693715
N-(cyclobutylmethyl)-N,2-dimethyl-2-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62862088
2-(cyclohexylamino)-2-phenylbutanoic acid
CID 60997703
4-[cyclopropyl(propyl)amino]-2-(methylamino)-2-phenylbutanoic acid
CID 116693729
2-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)-2-phenylpropanoic acid
CID 106495672
1-[cyclohexylmethyl(methyl)amino]-3-phenylpropan-2-one
CID 61446057

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid?
The IUPAC name of 3-[cyclopentylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid (CID 63632518) is 3-[cyclopentylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid.
What is the SMILES notation for 3-[cyclopentylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid?
The canonical SMILES for 3-[cyclopentylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid is CNC(CN(C)CC1CCCC1)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[cyclopentylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid?
The InChIKey is QRBCDDNOOZEQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-18-17(16(20)21,15-10-4-3-5-11-15)13-19(2)12-14-8-6-7-9-14/h3-5,10-11,14,18H,6-9,12-13H2,1-2H3,(H,20,21).
What are the key properties of 3-[cyclopentylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid?
3-[cyclopentylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid has a molecular weight of 290.41 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid is sourced from PubChem (CID 63632518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).