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

C12H22N2O3 — CID 60987133

IUPAC3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid
SMILESCC(C(=O)NC1CCCC1)N(C)CCC(=O)O
InChIInChI=1S/C12H22N2O3/c1-9(14(2)8-7-11(15)16)12(17)13-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyREABMWPXSBDGKN-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.84
Rot. Bonds6

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

3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid (PubChem CID 60987133) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid
PubChem CID60987133
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid
SMILESCC(C(=O)NC1CCCC1)N(C)CCC(=O)O
InChIInChI=1S/C12H22N2O3/c1-9(14(2)8-7-11(15)16)12(17)13-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyREABMWPXSBDGKN-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylpropanamide
CID 43116824
N-cyclohexyl-2-[3-hydroxybutyl(methyl)amino]propanamide
CID 111496931
3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid
CID 55007305
2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 55244223
methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60670343
2-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]propanoic acid
CID 62637395
2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide
CID 86979720
2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide
CID 17485820
3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544
(2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide
CID 7830989
(2R)-2-[2-(4-bromophenoxy)ethyl-methylamino]-N-cyclohexylpropanamide
CID 25494848
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 46614381

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid?
The IUPAC name of 3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid (CID 60987133) is 3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid is CC(C(=O)NC1CCCC1)N(C)CCC(=O)O.
What is the InChIKey of 3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid?
The InChIKey is REABMWPXSBDGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(14(2)8-7-11(15)16)12(17)13-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid?
3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.84, 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]propanoic acid is sourced from PubChem (CID 60987133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).