trans-(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid

C11H19NO4 — CID 54758925

IUPACtrans-(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@@]1(C(=O)O)CCC[C@H]1N
InChIInChI=1S/C11H19NO4/c1-10(2,3)16-9(15)11(8(13)14)6-4-5-7(11)12/h7H,4-6,12H2,1-3H3,(H,13,14)/t7-,11+/m1/s1
InChIKeyNZBULEMJQQIFQG-HQJQHLMTSA-N
MW229.28 g/mol
LogP0.91
Rot. Bonds2

About trans-(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid

trans-(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid (PubChem CID 54758925) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is trans-(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
PubChem CID54758925
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nametrans-(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@@]1(C(=O)O)CCC[C@H]1N
InChIInChI=1S/C11H19NO4/c1-10(2,3)16-9(15)11(8(13)14)6-4-5-7(11)12/h7H,4-6,12H2,1-3H3,(H,13,14)/t7-,11+/m1/s1
InChIKeyNZBULEMJQQIFQG-HQJQHLMTSA-N
XLogP0.91
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze trans-(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]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

trans-tert-butyl (1S,2R)-1,2-diaminocyclopentane-1-carboxylate
CID 68828762
trans-(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxocyclohexane-1-carboxylic acid
CID 97170784
2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxocyclohexane-1-carboxylic acid
CID 71432923
ditert-butyl 2-ethylcyclobutane-1,1-dicarboxylate
CID 175257362
tert-butyl 1-amino-5-hydroxycyclooctane-1-carboxylate
CID 155469441
trans-tert-butyl (1R,2R)-1-amino-2-ethylcyclohexane-1-carboxylate
CID 125426213
cis-(1R,2R)-1-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 66679596
1-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroindene-2-carboxylic acid
CID 118703190
4-[(2-methylpropan-2-yl)oxycarbonyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 23149699
trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 55284582
(1R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 129318014
2-propylcyclopentane-1,1-dicarboxylic acid
CID 14381279

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid (CID 54758925) is trans-(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid is CC(C)(C)OC(=O)[C@@]1(C(=O)O)CCC[C@H]1N.
What is the InChIKey of trans-(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid?
The InChIKey is NZBULEMJQQIFQG-HQJQHLMTSA-N. The full InChI is InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)11(8(13)14)6-4-5-7(11)12/h7H,4-6,12H2,1-3H3,(H,13,14)/t7-,11+/m1/s1.
What are the key properties of trans-(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid?
trans-(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 54758925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).