(2R)-5-amino-2-[(1-ethylcyclobutyl)carbamoylamino]-5-oxopentanoic acid

C12H21N3O4 — CID 107831122

IUPAC(2R)-5-amino-2-[(1-ethylcyclobutyl)carbamoylamino]-5-oxopentanoic acid
SMILESCCC1(NC(=O)N[C@H](CCC(N)=O)C(=O)O)CCC1
InChIInChI=1S/C12H21N3O4/c1-2-12(6-3-7-12)15-11(19)14-8(10(17)18)4-5-9(13)16/h8H,2-7H2,1H3,(H2,13,16)(H,17,18)(H2,14,15,19)/t8-/m1/s1
InChIKeyZPUXFTWMCPLQJL-MRVPVSSYSA-N
MW271.32 g/mol
LogP0.34
Rot. Bonds7

About (2R)-5-amino-2-[(1-ethylcyclobutyl)carbamoylamino]-5-oxopentanoic acid

(2R)-5-amino-2-[(1-ethylcyclobutyl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 107831122) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2R)-5-amino-2-[(1-ethylcyclobutyl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(1-ethylcyclobutyl)carbamoylamino]-5-oxopentanoic acid
PubChem CID107831122
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name(2R)-5-amino-2-[(1-ethylcyclobutyl)carbamoylamino]-5-oxopentanoic acid
SMILESCCC1(NC(=O)N[C@H](CCC(N)=O)C(=O)O)CCC1
InChIInChI=1S/C12H21N3O4/c1-2-12(6-3-7-12)15-11(19)14-8(10(17)18)4-5-9(13)16/h8H,2-7H2,1H3,(H2,13,16)(H,17,18)(H2,14,15,19)/t8-/m1/s1
InChIKeyZPUXFTWMCPLQJL-MRVPVSSYSA-N
XLogP0.34
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2R)-5-amino-2-[(1-ethylcyclobutyl)carbamoylamino]-5-oxopentanoic 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

(2R)-5-amino-2-[(1-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107830897
5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid
CID 61188845
(2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61189349
(2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid
CID 107830570
(2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid
CID 62406706
(2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid
CID 61209238
5-amino-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-oxopentanoic acid
CID 64679399
5-amino-2-[(1-carboxy-4-oxobutyl)carbamoylamino]-5-oxopentanoic acid
CID 137398829
5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid
CID 43210526
5-amino-2-(butylcarbamoylamino)-5-oxopentanoic acid
CID 43210525
(2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61465945
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(1-ethylcyclobutyl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(1-ethylcyclobutyl)carbamoylamino]-5-oxopentanoic acid (CID 107831122) is (2R)-5-amino-2-[(1-ethylcyclobutyl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(1-ethylcyclobutyl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(1-ethylcyclobutyl)carbamoylamino]-5-oxopentanoic acid is CCC1(NC(=O)N[C@H](CCC(N)=O)C(=O)O)CCC1.
What is the InChIKey of (2R)-5-amino-2-[(1-ethylcyclobutyl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is ZPUXFTWMCPLQJL-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-2-12(6-3-7-12)15-11(19)14-8(10(17)18)4-5-9(13)16/h8H,2-7H2,1H3,(H2,13,16)(H,17,18)(H2,14,15,19)/t8-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(1-ethylcyclobutyl)carbamoylamino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(1-ethylcyclobutyl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.34, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(1-ethylcyclobutyl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 107831122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).