2-amino-6-(cyclopropylamino)hexanoic acid

C9H18N2O2 — CID 67330601

IUPAC2-amino-6-(cyclopropylamino)hexanoic acid
SMILESNC(CCCCNC1CC1)C(=O)O
InChIInChI=1S/C9H18N2O2/c10-8(9(12)13)3-1-2-6-11-7-4-5-7/h7-8,11H,1-6,10H2,(H,12,13)
InChIKeyCDGAHSVFMFYKTO-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.32
Rot. Bonds7

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

2-amino-6-(cyclopropylamino)hexanoic acid (PubChem CID 67330601) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-amino-6-(cyclopropylamino)hexanoic acid.

Molecular Properties

Compound Name2-amino-6-(cyclopropylamino)hexanoic acid
PubChem CID67330601
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-amino-6-(cyclopropylamino)hexanoic acid
SMILESNC(CCCCNC1CC1)C(=O)O
InChIInChI=1S/C9H18N2O2/c10-8(9(12)13)3-1-2-6-11-7-4-5-7/h7-8,11H,1-6,10H2,(H,12,13)
InChIKeyCDGAHSVFMFYKTO-UHFFFAOYSA-N
XLogP0.32
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.32
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-amino-5-(pyrrolidin-3-ylamino)pentanoic acid
CID 90742883
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2-amino-6-(phosphanylamino)hexanoic acid
CID 58918471
(2S)-2-amino-5-[2-(cyclopropylcarbamoyl)hydrazinyl]pentanoic acid
CID 54548287
(2S)-2-amino-6-(cyclopropyloxycarbonylamino)hexanoic acid
CID 90090745
(2S)-2-amino-6-(methylamino)hexanoic acid;ethane
CID 144761266
(2S)-2-amino-6-(3,4-dihydro-2H-pyrrole-2-carbonylamino)hexanoic acid
CID 51055212
2,6-diaminoheptanedioic acid
CID 865
2-amino-6-[[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]hexanoic acid
CID 155665651
2-amino-6-[[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]hexanoic acid
CID 155355915
(2S)-2,7-diamino-7-oxoheptanoic acid
CID 88911267

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(cyclopropylamino)hexanoic acid?
The IUPAC name of 2-amino-6-(cyclopropylamino)hexanoic acid (CID 67330601) is 2-amino-6-(cyclopropylamino)hexanoic acid.
What is the SMILES notation for 2-amino-6-(cyclopropylamino)hexanoic acid?
The canonical SMILES for 2-amino-6-(cyclopropylamino)hexanoic acid is NC(CCCCNC1CC1)C(=O)O.
What is the InChIKey of 2-amino-6-(cyclopropylamino)hexanoic acid?
The InChIKey is CDGAHSVFMFYKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c10-8(9(12)13)3-1-2-6-11-7-4-5-7/h7-8,11H,1-6,10H2,(H,12,13).
What are the key properties of 2-amino-6-(cyclopropylamino)hexanoic acid?
2-amino-6-(cyclopropylamino)hexanoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(cyclopropylamino)hexanoic acid is sourced from PubChem (CID 67330601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).