1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid

C11H20N2O3 — CID 107570322

IUPAC1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESCCC[C@@H](N)C(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C11H20N2O3/c1-2-4-8(12)9(14)13-7-11(10(15)16)5-3-6-11/h8H,2-7,12H2,1H3,(H,13,14)(H,15,16)/t8-/m1/s1
InChIKeyPEAQBRAOCPQYLN-MRVPVSSYSA-N
MW228.29 g/mol
LogP0.48
Rot. Bonds6

About 1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid

1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 107570322) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID107570322
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESCCC[C@@H](N)C(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C11H20N2O3/c1-2-4-8(12)9(14)13-7-11(10(15)16)5-3-6-11/h8H,2-7,12H2,1H3,(H,13,14)(H,15,16)/t8-/m1/s1
InChIKeyPEAQBRAOCPQYLN-MRVPVSSYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 107570315
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cycloheptane-1-carboxylic acid
CID 107570320
1-[(2-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450692
1-[(2-aminohexanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309229
1-[(2-aminopentanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442596
1-[[(2-amino-4-carboxybutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436305
1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 104903843
1-[(2-ethylbutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362342
2-amino-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 103797625
(2R)-2-amino-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 103797619
1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450693
2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pentanamide
CID 119344547

Frequently Asked Questions

What is the IUPAC name of 1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid (CID 107570322) is 1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid is CCC[C@@H](N)C(=O)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is PEAQBRAOCPQYLN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-4-8(12)9(14)13-7-11(10(15)16)5-3-6-11/h8H,2-7,12H2,1H3,(H,13,14)(H,15,16)/t8-/m1/s1.
What are the key properties of 1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid?
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 107570322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).