cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid

C12H21NO4 — CID 124575960

IUPACcis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CCC[C@]1(C)C(=O)O
InChIInChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-8-6-5-7-12(8,4)9(14)15/h8H,5-7H2,1-4H3,(H,13,16)(H,14,15)/t8-,12-/m0/s1
InChIKeyRELMMCLJMQTQFA-UFBFGSQYSA-N
MW243.30 g/mol
LogP2.15
Rot. Bonds2

About cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid

cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid (PubChem CID 124575960) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
PubChem CID124575960
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namecis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CCC[C@]1(C)C(=O)O
InChIInChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-8-6-5-7-12(8,4)9(14)15/h8H,5-7H2,1-4H3,(H,13,16)(H,14,15)/t8-,12-/m0/s1
InChIKeyRELMMCLJMQTQFA-UFBFGSQYSA-N
XLogP2.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic 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

tert-butyl N-(2-acetyl-2-methylcyclopentyl)carbamate
CID 165465207
tert-butyl N-(2,2-difluorocyclopentyl)carbamate
CID 66792233
4-cyclopropyl-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 165462591
2-[(2-amino-2-methylpropanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213858
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
cis-(1R,2R)-1-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 66679596
tert-butyl N-(2,2-difluorocyclohexyl)carbamate
CID 70317429
tert-butyl N-(8-azaspiro[4.5]decan-4-yl)carbamate
CID 127264221
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylcyclopentane-1-carboxylic acid
CID 67252878
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
2-(4,4-dimethylpentanoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 114212381
tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid (CID 124575960) is cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid is CC(C)(C)OC(=O)N[C@H]1CCC[C@]1(C)C(=O)O.
What is the InChIKey of cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is RELMMCLJMQTQFA-UFBFGSQYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-8-6-5-7-12(8,4)9(14)15/h8H,5-7H2,1-4H3,(H,13,16)(H,14,15)/t8-,12-/m0/s1.
What are the key properties of cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid?
cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 124575960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).