6-amino-2-(cyclopentylamino)hexanoic acid

C11H22N2O2 — CID 19080804

IUPAC6-amino-2-(cyclopentylamino)hexanoic acid
SMILESNCCCCC(NC1CCCC1)C(=O)O
InChIInChI=1S/C11H22N2O2/c12-8-4-3-7-10(11(14)15)13-9-5-1-2-6-9/h9-10,13H,1-8,12H2,(H,14,15)
InChIKeyDSGHDPDKOHUTQO-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.10
Rot. Bonds7

About 6-amino-2-(cyclopentylamino)hexanoic acid

6-amino-2-(cyclopentylamino)hexanoic acid (PubChem CID 19080804) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 6-amino-2-(cyclopentylamino)hexanoic acid.

Molecular Properties

Compound Name6-amino-2-(cyclopentylamino)hexanoic acid
PubChem CID19080804
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name6-amino-2-(cyclopentylamino)hexanoic acid
SMILESNCCCCC(NC1CCCC1)C(=O)O
InChIInChI=1S/C11H22N2O2/c12-8-4-3-7-10(11(14)15)13-9-5-1-2-6-9/h9-10,13H,1-8,12H2,(H,14,15)
InChIKeyDSGHDPDKOHUTQO-UHFFFAOYSA-N
XLogP1.10
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.10
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-(cyclohexylamino)heptanoic acid
CID 60998800
(2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid
CID 22838737
2-(cyclohexylamino)-5-methoxypentanoic acid
CID 82932734
2-(cyclopropylamino)heptanoic acid
CID 43754511
6-amino-2-[[(2R)-3-cyclohexyl-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
CID 68572008
2-(cyclopentylamino)butanoic acid
CID 60998249
(2R)-6-amino-2-(hydroxyamino)hexanoic acid
CID 87193141
(2S)-6-amino-2-[[(3S)-1-[(1S)-1-carboxyethyl]-2-oxoazepan-3-yl]amino]hexanoic acid
CID 18605785
methyl 2-(cyclopentylamino)nonanoate
CID 54894298
2-(cyclohexylamino)-4-ethylsulfanylbutanoic acid
CID 116504388
2-(cyclohexylamino)octanamide
CID 54893908
6-amino-2-(hydroxymethylamino)hexanoic acid
CID 18519143

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(cyclopentylamino)hexanoic acid?
The IUPAC name of 6-amino-2-(cyclopentylamino)hexanoic acid (CID 19080804) is 6-amino-2-(cyclopentylamino)hexanoic acid.
What is the SMILES notation for 6-amino-2-(cyclopentylamino)hexanoic acid?
The canonical SMILES for 6-amino-2-(cyclopentylamino)hexanoic acid is NCCCCC(NC1CCCC1)C(=O)O.
What is the InChIKey of 6-amino-2-(cyclopentylamino)hexanoic acid?
The InChIKey is DSGHDPDKOHUTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c12-8-4-3-7-10(11(14)15)13-9-5-1-2-6-9/h9-10,13H,1-8,12H2,(H,14,15).
What are the key properties of 6-amino-2-(cyclopentylamino)hexanoic acid?
6-amino-2-(cyclopentylamino)hexanoic acid has a molecular weight of 214.31 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(cyclopentylamino)hexanoic acid is sourced from PubChem (CID 19080804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).