5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]hexanoic acid

C12H22N2O3 — CID 82847028

IUPAC5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)C1(CN)CCC1
InChIInChI=1S/C12H22N2O3/c1-9(4-2-5-10(15)16)14-11(17)12(8-13)6-3-7-12/h9H,2-8,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyCCHXDFVGCPDALF-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.88
Rot. Bonds7

About 5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]hexanoic acid

5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]hexanoic acid (PubChem CID 82847028) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]hexanoic acid
PubChem CID82847028
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)C1(CN)CCC1
InChIInChI=1S/C12H22N2O3/c1-9(4-2-5-10(15)16)14-11(17)12(8-13)6-3-7-12/h9H,2-8,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyCCHXDFVGCPDALF-UHFFFAOYSA-N
XLogP0.88
TPSA92.42 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 ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-octan-2-ylcyclobutane-1-carboxamide
CID 80587125
(2R)-2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]hexanedioic acid
CID 107835682
(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]pentanedioic acid
CID 113311657
1-(aminomethyl)-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide
CID 80588231
1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide
CID 63926094
(2R)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]propanoic acid
CID 115435215
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid
CID 115435094
5-[(2-aminoacetyl)amino]hexanoic acid
CID 82846044
5-[(4-propylpiperidine-4-carbonyl)amino]hexanoic acid
CID 82846529
(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-hydroxybutanoic acid
CID 107825006
1-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)cyclopentane-1-carboxamide
CID 64631433
methyl (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-methylbutanoate
CID 115447658

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]hexanoic acid?
The IUPAC name of 5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]hexanoic acid (CID 82847028) is 5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]hexanoic acid?
The canonical SMILES for 5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)C1(CN)CCC1.
What is the InChIKey of 5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]hexanoic acid?
The InChIKey is CCHXDFVGCPDALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(4-2-5-10(15)16)14-11(17)12(8-13)6-3-7-12/h9H,2-8,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]hexanoic acid?
5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]hexanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]hexanoic acid is sourced from PubChem (CID 82847028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).