2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid

C14H26N2O3 — CID 62820612

IUPAC2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(C)C(=O)NC1CCCC1)C(C)(C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-5-16(14(3,4)13(18)19)10(2)12(17)15-11-8-6-7-9-11/h10-11H,5-9H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyPFPZYYIJVZCHHU-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.62
Rot. Bonds6

About 2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid

2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid (PubChem CID 62820612) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid
PubChem CID62820612
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(C)C(=O)NC1CCCC1)C(C)(C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-5-16(14(3,4)13(18)19)10(2)12(17)15-11-8-6-7-9-11/h10-11H,5-9H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyPFPZYYIJVZCHHU-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-cyclopentylethyl(ethyl)amino]-2-methylpropanoic acid
CID 65061861
2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid
CID 62820971
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-cyclopentylpropanamide
CID 79667958
2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 55244223
3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 60987133
3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid
CID 55007305
tert-butyl-[(2R,3R)-1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamic acid
CID 67128396
N-cyclopentyl-2-methylbutanamide;methane
CID 159941857
ethyl 2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]acetate
CID 62026180
2-[(4-aminocyclohexyl)-ethylamino]-N-cyclohexylpropanamide
CID 79114794
2-[4-aminobutan-2-yl(methyl)amino]-N-cyclopentylpropanamide
CID 63225297
(2R)-N-cyclobutyl-2-methylbutanamide
CID 129182523

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid (CID 62820612) is 2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid is CCN(C(C)C(=O)NC1CCCC1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid?
The InChIKey is PFPZYYIJVZCHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-16(14(3,4)13(18)19)10(2)12(17)15-11-8-6-7-9-11/h10-11H,5-9H2,1-4H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid?
2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62820612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).