3-[[1-(dimethylamino)cyclopentyl]methylamino]butanoic acid

C12H24N2O2 — CID 83121061

IUPAC3-[[1-(dimethylamino)cyclopentyl]methylamino]butanoic acid
SMILESCC(CC(=O)O)NCC1(N(C)C)CCCC1
InChIInChI=1S/C12H24N2O2/c1-10(8-11(15)16)13-9-12(14(2)3)6-4-5-7-12/h10,13H,4-9H2,1-3H3,(H,15,16)
InChIKeyADCBDPFLEOTBKS-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.31
Rot. Bonds6

About 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanoic acid

3-[[1-(dimethylamino)cyclopentyl]methylamino]butanoic acid (PubChem CID 83121061) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanoic acid.

Molecular Properties

Compound Name3-[[1-(dimethylamino)cyclopentyl]methylamino]butanoic acid
PubChem CID83121061
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-[[1-(dimethylamino)cyclopentyl]methylamino]butanoic acid
SMILESCC(CC(=O)O)NCC1(N(C)C)CCCC1
InChIInChI=1S/C12H24N2O2/c1-10(8-11(15)16)13-9-12(14(2)3)6-4-5-7-12/h10,13H,4-9H2,1-3H3,(H,15,16)
InChIKeyADCBDPFLEOTBKS-UHFFFAOYSA-N
XLogP1.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate
CID 83107449
3-[[1-(dimethylamino)cyclopentyl]methylamino]-N'-hydroxybutanimidamide
CID 83120864
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
CID 83121587
3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile
CID 78924428
methyl 3-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]butanoate
CID 61212301
2-[[1-(dimethylamino)cyclobutyl]methylamino]-N,N-dimethylpropanamide
CID 105416686
ethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate
CID 83121065
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide
CID 167805292
methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate
CID 105415620
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide
CID 107034071
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl-methylamino]acetic acid
CID 83120548

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanoic acid?
The IUPAC name of 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanoic acid (CID 83121061) is 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanoic acid.
What is the SMILES notation for 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanoic acid?
The canonical SMILES for 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanoic acid is CC(CC(=O)O)NCC1(N(C)C)CCCC1.
What is the InChIKey of 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanoic acid?
The InChIKey is ADCBDPFLEOTBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(8-11(15)16)13-9-12(14(2)3)6-4-5-7-12/h10,13H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanoic acid?
3-[[1-(dimethylamino)cyclopentyl]methylamino]butanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanoic acid is sourced from PubChem (CID 83121061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).