trans-(1S,3R)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid

C11H19NO4 — CID 69457377

IUPACtrans-(1S,3R)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@@H]1CC[C@@](N)(C(=O)O)C1
InChIInChI=1S/C11H19NO4/c1-10(2,3)16-8(13)7-4-5-11(12,6-7)9(14)15/h7H,4-6,12H2,1-3H3,(H,14,15)/t7-,11+/m1/s1
InChIKeyMRYIABCWCPQOKO-HQJQHLMTSA-N
MW229.28 g/mol
LogP0.91
Rot. Bonds2

About trans-(1S,3R)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid

trans-(1S,3R)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid (PubChem CID 69457377) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is trans-(1S,3R)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,3R)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
PubChem CID69457377
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nametrans-(1S,3R)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@@H]1CC[C@@](N)(C(=O)O)C1
InChIInChI=1S/C11H19NO4/c1-10(2,3)16-8(13)7-4-5-11(12,6-7)9(14)15/h7H,4-6,12H2,1-3H3,(H,14,15)/t7-,11+/m1/s1
InChIKeyMRYIABCWCPQOKO-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

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Related Compounds

tert-butyl spiro[2.4]heptane-6-carboxylate
CID 141217808
1-amino-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid
CID 45026971
tert-butyl (3S)-1-azaspiro[2.4]heptane-5-carboxylate
CID 155229416
tert-butyl cyclopropanecarboxylate
CID 157212632
1-amino-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylic acid
CID 115050658
tert-butyl (1R,3R,4R)-1-amino-3,4-dimethylcyclohexane-1-carboxylate
CID 125426362
tert-butyl 3-amino-3-[(1R)-1-hydroxyethyl]cyclobutane-1-carboxylate
CID 175706579
1-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexane-1-carboxylic acid;4-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexane-1-carboxylic acid
CID 160522363
trans-(1R,2S)-1-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
CID 102458747
4-O-tert-butyl 1-O-methyl 1-hydroxycyclohexane-1,4-dicarboxylate
CID 146665710
tert-butyl cyclododecanecarboxylate
CID 154013086
3-amino-9-[(2-methylpropan-2-yl)oxycarbonyl]-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 171936433

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1S,3R)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid (CID 69457377) is trans-(1S,3R)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,3R)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1S,3R)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid is CC(C)(C)OC(=O)[C@@H]1CC[C@@](N)(C(=O)O)C1.
What is the InChIKey of trans-(1S,3R)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid?
The InChIKey is MRYIABCWCPQOKO-HQJQHLMTSA-N. The full InChI is InChI=1S/C11H19NO4/c1-10(2,3)16-8(13)7-4-5-11(12,6-7)9(14)15/h7H,4-6,12H2,1-3H3,(H,14,15)/t7-,11+/m1/s1.
What are the key properties of trans-(1S,3R)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid?
trans-(1S,3R)-1-amino-3-[(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,3R)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 69457377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).