2-(5-aminohexanoylamino)cyclopentane-1-carboxylic acid

C12H22N2O3 — CID 82851867

IUPAC2-(5-aminohexanoylamino)cyclopentane-1-carboxylic acid
SMILESCC(N)CCCC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8(13)4-2-7-11(15)14-10-6-3-5-9(10)12(16)17/h8-10H,2-7,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyKHALTVMEXRRKRK-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.87
Rot. Bonds6

About 2-(5-aminohexanoylamino)cyclopentane-1-carboxylic acid

2-(5-aminohexanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 82851867) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(5-aminohexanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-aminohexanoylamino)cyclopentane-1-carboxylic acid
PubChem CID82851867
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-(5-aminohexanoylamino)cyclopentane-1-carboxylic acid
SMILESCC(N)CCCC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8(13)4-2-7-11(15)14-10-6-3-5-9(10)12(16)17/h8-10H,2-7,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyKHALTVMEXRRKRK-UHFFFAOYSA-N
XLogP0.87
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 64812288
2-(4-aminobutanoylamino)cyclopentane-1-carboxylic acid
CID 64814362
5-amino-N-[2-(hydroxymethyl)cyclohexyl]hexanamide
CID 106361473
2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid
CID 64814365
5-amino-N-cyclopropylhexanamide
CID 82848782
4-(5-aminohexanoylamino)cyclohexane-1-carboxylic acid
CID 82852110
2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]cyclohexane-1-carboxylic acid
CID 64816609
4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]pentanamide
CID 107221714
2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 64813718
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 64812508
2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 65241761
2-(5-aminohexanoylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214456

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminohexanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(5-aminohexanoylamino)cyclopentane-1-carboxylic acid (CID 82851867) is 2-(5-aminohexanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(5-aminohexanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(5-aminohexanoylamino)cyclopentane-1-carboxylic acid is CC(N)CCCC(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-(5-aminohexanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is KHALTVMEXRRKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(13)4-2-7-11(15)14-10-6-3-5-9(10)12(16)17/h8-10H,2-7,13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(5-aminohexanoylamino)cyclopentane-1-carboxylic acid?
2-(5-aminohexanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminohexanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82851867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).