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

C12H21N3O4 — CID 79846205

IUPAC2-[1-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclobutyl]acetic acid
SMILESCC(C)C(NC(N)=O)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C12H21N3O4/c1-7(2)9(14-11(13)19)10(18)15-12(4-3-5-12)6-8(16)17/h7,9H,3-6H2,1-2H3,(H,15,18)(H,16,17)(H3,13,14,19)
InChIKeyBNSKIPOYDRFOIA-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.19
Rot. Bonds6

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

2-[1-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclobutyl]acetic acid (PubChem CID 79846205) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[1-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclobutyl]acetic acid
PubChem CID79846205
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-[1-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclobutyl]acetic acid
SMILESCC(C)C(NC(N)=O)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C12H21N3O4/c1-7(2)9(14-11(13)19)10(18)15-12(4-3-5-12)6-8(16)17/h7,9H,3-6H2,1-2H3,(H,15,18)(H,16,17)(H3,13,14,19)
InChIKeyBNSKIPOYDRFOIA-UHFFFAOYSA-N
XLogP0.19
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclobutyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 62520054
2-[1-[(2-amino-3-methylbutanoyl)amino]cyclopentyl]acetic acid
CID 64702283
2-[1-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclopentyl]acetic acid
CID 64701117
2-[1-[[(2S)-2-aminobutanoyl]amino]cyclobutyl]acetic acid
CID 79845445
2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylpentanamide
CID 62520053
2-[1-[(2-amino-3-methylpentanoyl)amino]cyclopentyl]acetic acid
CID 64702115
2-[1-(2-aminobutanoylamino)cyclohexyl]acetic acid
CID 64684113
2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid
CID 64685103
2-[1-[(2,2-difluoroacetyl)amino]cyclopentyl]acetic acid
CID 103513328
1-[[2-(carbamoylamino)-3-methylpentanoyl]amino]cyclobutane-1-carboxylic acid
CID 81158683
2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid
CID 79851456
2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide
CID 65312871

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclobutyl]acetic acid (CID 79846205) is 2-[1-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclobutyl]acetic acid is CC(C)C(NC(N)=O)C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclobutyl]acetic acid?
The InChIKey is BNSKIPOYDRFOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-7(2)9(14-11(13)19)10(18)15-12(4-3-5-12)6-8(16)17/h7,9H,3-6H2,1-2H3,(H,15,18)(H,16,17)(H3,13,14,19).
What are the key properties of 2-[1-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclobutyl]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 0.19, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79846205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).