3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid

C13H24N2O3 — CID 55007305

IUPAC3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(C)C(=O)NC1CCCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-9(13(17)18)8-15(3)10(2)12(16)14-11-6-4-5-7-11/h9-11H,4-8H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyPZXLDVUYCKCUGJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds6

About 3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid

3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid (PubChem CID 55007305) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid
PubChem CID55007305
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(C)C(=O)NC1CCCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-9(13(17)18)8-15(3)10(2)12(16)14-11-6-4-5-7-11/h9-11H,4-8H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyPZXLDVUYCKCUGJ-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 60987133
2-[2-aminopropyl(methyl)amino]-N-cyclopropylpropanamide
CID 63758992
3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid
CID 62853862
methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60670343
N-cyclohexyl-2-[3-hydroxybutyl(methyl)amino]propanamide
CID 111496931
2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 55244223
2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913701
2-methyl-3-[methyl-[(4-propan-2-ylcycloheptyl)carbamoyl]amino]propanoic acid
CID 122010343
2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylpropanamide
CID 43116824
N-cyclopentyl-2-[methyl(piperidin-3-ylmethyl)amino]propanamide
CID 106636337
3-[[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid
CID 122120103
2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide
CID 86979720

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid (CID 55007305) is 3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid is CC(CN(C)C(C)C(=O)NC1CCCC1)C(=O)O.
What is the InChIKey of 3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid?
The InChIKey is PZXLDVUYCKCUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(13(17)18)8-15(3)10(2)12(16)14-11-6-4-5-7-11/h9-11H,4-8H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid?
3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55007305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).