2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]butanoic acid

C11H20N2O3 — CID 115448625

IUPAC2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)C1(CN)CCC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-2-8(9(14)15)6-13-10(16)11(7-12)4-3-5-11/h8H,2-7,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyZPQPRXDWPHBVEI-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.34
Rot. Bonds6

About 2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]butanoic acid

2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]butanoic acid (PubChem CID 115448625) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]butanoic acid
PubChem CID115448625
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)C1(CN)CCC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-2-8(9(14)15)6-13-10(16)11(7-12)4-3-5-11/h8H,2-7,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyZPQPRXDWPHBVEI-UHFFFAOYSA-N
XLogP0.34
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)cyclobutane-1-carboxamide
CID 115448709
1-(aminomethyl)-N-(2-hydroxypentyl)cyclopentane-1-carboxamide
CID 115739396
1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide
CID 115406460
1-(aminomethyl)-N-[2-(2-hydroxyethyl)pentyl]cyclobutane-1-carboxamide
CID 106116673
1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221086
2-[[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]methyl]butanoic acid
CID 104678326
1-(aminomethyl)-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide
CID 115406466
2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]butanoic acid
CID 115443955
1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide
CID 115448338
1-(aminomethyl)-N-[2-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 80587365
2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid
CID 113311791
5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid
CID 104685703

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]butanoic acid (CID 115448625) is 2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]butanoic acid is CCC(CNC(=O)C1(CN)CCC1)C(=O)O.
What is the InChIKey of 2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]butanoic acid?
The InChIKey is ZPQPRXDWPHBVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-8(9(14)15)6-13-10(16)11(7-12)4-3-5-11/h8H,2-7,12H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]butanoic acid?
2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]butanoic acid is sourced from PubChem (CID 115448625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).