3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

C13H23NO4 — CID 123134609

IUPAC3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
SMILESCC(C)(C)OC(=O)C(N)(CC(=O)O)C1CCCC1
InChIInChI=1S/C13H23NO4/c1-12(2,3)18-11(17)13(14,8-10(15)16)9-6-4-5-7-9/h9H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyXXPALUVMVPNSBP-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.69
Rot. Bonds4

About 3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid (PubChem CID 123134609) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
PubChem CID123134609
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
SMILESCC(C)(C)OC(=O)C(N)(CC(=O)O)C1CCCC1
InChIInChI=1S/C13H23NO4/c1-12(2,3)18-11(17)13(14,8-10(15)16)9-6-4-5-7-9/h9H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyXXPALUVMVPNSBP-UHFFFAOYSA-N
XLogP1.69
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic 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

(3R)-3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 175307569
tert-butyl 2,2-diamino-2-cyclohexylacetate
CID 70137368
3-amino-3-cyclopentylbutanoic acid
CID 55295139
(3R)-3-amino-3-cyclopentylbutanoic acid
CID 55294909
3-cyclopentyl-4-hydroxy-3-methylbutanoic acid
CID 105442131
tert-butyl 2-amino-2-cyclopropylpropanoate
CID 18379175
3-cycloheptyl-3-methoxybutanoic acid
CID 105467922
2-amino-2-cyclohexyl-6,6-dimethyl-4-oxoheptanoic acid
CID 18966300
methyl 2-amino-2-cyclohexyl-3-fluoropropanoate
CID 105455426
2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973903
tert-butyl 2-amino-3-cyclopropyl-2-methylpropanoate
CID 90204397
2-cycloheptyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973885

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The IUPAC name of 3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid (CID 123134609) is 3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The canonical SMILES for 3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid is CC(C)(C)OC(=O)C(N)(CC(=O)O)C1CCCC1.
What is the InChIKey of 3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The InChIKey is XXPALUVMVPNSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-12(2,3)18-11(17)13(14,8-10(15)16)9-6-4-5-7-9/h9H,4-8,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid is sourced from PubChem (CID 123134609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).