2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid

C12H22N2O3 — CID 81161542

IUPAC2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid
SMILESCC(C)[C@@H](N)C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C12H22N2O3/c1-8(2)10(13)11(17)14-7-12(4-3-5-12)6-9(15)16/h8,10H,3-7,13H2,1-2H3,(H,14,17)(H,15,16)/t10-/m1/s1
InChIKeyGCSABFOUUWFMMU-SNVBAGLBSA-N
MW242.32 g/mol
LogP0.73
Rot. Bonds6

About 2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid

2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid (PubChem CID 81161542) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid
PubChem CID81161542
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid
SMILESCC(C)[C@@H](N)C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C12H22N2O3/c1-8(2)10(13)11(17)14-7-12(4-3-5-12)6-9(15)16/h8,10H,3-7,13H2,1-2H3,(H,14,17)(H,15,16)/t10-/m1/s1
InChIKeyGCSABFOUUWFMMU-SNVBAGLBSA-N
XLogP0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436415
(3S)-3-amino-4-[[1-(carboxymethyl)cyclohexyl]methylamino]-4-oxobutanoic acid
CID 90738461
2-[1-[(2-methoxypropanoylamino)methyl]cyclohexyl]acetic acid
CID 113354338
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 65106150
2-[1-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclopentyl]acetic acid
CID 64701117
2-[1-[(2-amino-3-methylbutanoyl)amino]cyclopentyl]acetic acid
CID 64702283
(2R)-2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbutanamide
CID 104969427
2-[1-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]cyclobutyl]acetic acid
CID 107472478
1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450630
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 113293910
2-[1-[(2-propylpentanoylamino)methyl]cyclohexyl]acetic acid
CID 82984628
2-[1-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]cyclobutyl]acetic acid
CID 81164897

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid (CID 81161542) is 2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid is CC(C)[C@@H](N)C(=O)NCC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid?
The InChIKey is GCSABFOUUWFMMU-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)10(13)11(17)14-7-12(4-3-5-12)6-9(15)16/h8,10H,3-7,13H2,1-2H3,(H,14,17)(H,15,16)/t10-/m1/s1.
What are the key properties of 2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid?
2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81161542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).