2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid

C16H28N2O3 — CID 115444268

IUPAC2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid
SMILESNCC1(C(=O)NCC2(CC(=O)O)CCC2)CCCCCC1
InChIInChI=1S/C16H28N2O3/c17-11-16(8-3-1-2-4-9-16)14(21)18-12-15(6-5-7-15)10-13(19)20/h1-12,17H2,(H,18,21)(H,19,20)
InChIKeyVJJBHCOENYQKGX-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.05
Rot. Bonds6

About 2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid

2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid (PubChem CID 115444268) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid
PubChem CID115444268
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid
SMILESNCC1(C(=O)NCC2(CC(=O)O)CCC2)CCCCCC1
InChIInChI=1S/C16H28N2O3/c17-11-16(8-3-1-2-4-9-16)14(21)18-12-15(6-5-7-15)10-13(19)20/h1-12,17H2,(H,18,21)(H,19,20)
InChIKeyVJJBHCOENYQKGX-UHFFFAOYSA-N
XLogP2.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide
CID 103966787
1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450646
2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid
CID 115437637
2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid
CID 81161274
1-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 103813043
1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclohexane-1-carboxamide
CID 105415997
1-(aminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]cyclobutane-1-carboxamide
CID 114116201
2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide
CID 66875980
2-[1-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81161716
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-ethylcyclopentane-1-carboxamide
CID 113295139
sodium;2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrate
CID 18668043
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid
CID 115435094

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid (CID 115444268) is 2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid is NCC1(C(=O)NCC2(CC(=O)O)CCC2)CCCCCC1.
What is the InChIKey of 2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid?
The InChIKey is VJJBHCOENYQKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c17-11-16(8-3-1-2-4-9-16)14(21)18-12-15(6-5-7-15)10-13(19)20/h1-12,17H2,(H,18,21)(H,19,20).
What are the key properties of 2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid?
2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid has a molecular weight of 296.41 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 115444268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).