5-[(1-methylcyclopentyl)methylamino]-5-oxopentanoic acid

C12H21NO3 — CID 63822209

IUPAC5-[(1-methylcyclopentyl)methylamino]-5-oxopentanoic acid
SMILESCC1(CNC(=O)CCCC(=O)O)CCCC1
InChIInChI=1S/C12H21NO3/c1-12(7-2-3-8-12)9-13-10(14)5-4-6-11(15)16/h2-9H2,1H3,(H,13,14)(H,15,16)
InChIKeyATZAHDOWNQJVHW-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.94
Rot. Bonds6

About 5-[(1-methylcyclopentyl)methylamino]-5-oxopentanoic acid

5-[(1-methylcyclopentyl)methylamino]-5-oxopentanoic acid (PubChem CID 63822209) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 5-[(1-methylcyclopentyl)methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1-methylcyclopentyl)methylamino]-5-oxopentanoic acid
PubChem CID63822209
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name5-[(1-methylcyclopentyl)methylamino]-5-oxopentanoic acid
SMILESCC1(CNC(=O)CCCC(=O)O)CCCC1
InChIInChI=1S/C12H21NO3/c1-12(7-2-3-8-12)9-13-10(14)5-4-6-11(15)16/h2-9H2,1H3,(H,13,14)(H,15,16)
InChIKeyATZAHDOWNQJVHW-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-oxohexanoic acid
CID 107163135
N-[(1-methylcyclopentyl)methyl]-4-(propan-2-ylamino)butanamide
CID 63831409
6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid
CID 114124800
6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid
CID 83116908
2-methoxy-N-[(1-methylcyclopentyl)methyl]acetamide
CID 63822122
2-methoxy-N-[(1-methylcyclobutyl)methyl]acetamide
CID 103737380
N-[(1-methylcycloheptyl)methyl]acetamide
CID 127751208
6-amino-4,4-dimethyl-N-[(1-methylcyclopentyl)methyl]hexanamide
CID 65291143
N-[(1-methylcyclopentyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131926304
4-[(1-methylcyclobutyl)methylcarbamoyl-propan-2-ylamino]butanoic acid
CID 114108798
N-[(1-methylcyclopentyl)methyl]-2-(propylamino)acetamide
CID 63829967
2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162365

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylcyclopentyl)methylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(1-methylcyclopentyl)methylamino]-5-oxopentanoic acid (CID 63822209) is 5-[(1-methylcyclopentyl)methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1-methylcyclopentyl)methylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(1-methylcyclopentyl)methylamino]-5-oxopentanoic acid is CC1(CNC(=O)CCCC(=O)O)CCCC1.
What is the InChIKey of 5-[(1-methylcyclopentyl)methylamino]-5-oxopentanoic acid?
The InChIKey is ATZAHDOWNQJVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(7-2-3-8-12)9-13-10(14)5-4-6-11(15)16/h2-9H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-[(1-methylcyclopentyl)methylamino]-5-oxopentanoic acid?
5-[(1-methylcyclopentyl)methylamino]-5-oxopentanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylcyclopentyl)methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 63822209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).