2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid

C12H22N2O3 — CID 64702109

IUPAC2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid
SMILESCNCCCC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C12H22N2O3/c1-13-8-4-5-10(15)14-12(9-11(16)17)6-2-3-7-12/h13H,2-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyBHALAUUBFNMFPK-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.89
Rot. Bonds7

About 2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid

2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid (PubChem CID 64702109) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid
PubChem CID64702109
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid
SMILESCNCCCC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C12H22N2O3/c1-13-8-4-5-10(15)14-12(9-11(16)17)6-2-3-7-12/h13H,2-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyBHALAUUBFNMFPK-UHFFFAOYSA-N
XLogP0.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid
CID 64702277
2-[1-(hexanoylamino)cyclobutyl]acetic acid
CID 79848224
2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid
CID 64684909
2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
CID 65241615
2-[1-(3-methylsulfanylpropanoylamino)cyclohexyl]acetic acid
CID 64671361
2-[1-(3-methoxypropanoylamino)cyclohexyl]acetic acid
CID 64672330
2-[1-[(2-methylsulfanylacetyl)amino]cyclohexyl]acetic acid
CID 64671362
2-[1-[(4-amino-4-methylpentanoyl)amino]cyclopentyl]acetic acid
CID 64702299
2-[1-[(4-amino-4-methylpentanoyl)amino]cyclohexyl]acetic acid
CID 64686097
2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid
CID 64671798
2-[1-[3-(2,2-dimethylpropanoylamino)propanoylamino]cyclobutyl]acetic acid
CID 79849178
2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentyl]acetic acid
CID 64671418

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid (CID 64702109) is 2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid is CNCCCC(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid?
The InChIKey is BHALAUUBFNMFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-13-8-4-5-10(15)14-12(9-11(16)17)6-2-3-7-12/h13H,2-9H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid?
2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid is sourced from PubChem (CID 64702109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).