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

C12H21NO4 — CID 17040204

IUPAC1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-8-12(9(14)15)6-4-5-7-12/h4-8H2,1-3H3,(H,13,16)(H,14,15)
InChIKeySZCQGYCDQVOYDH-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.16
Rot. Bonds3

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

1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 17040204) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID17040204
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-8-12(9(14)15)6-4-5-7-12/h4-8H2,1-3H3,(H,13,16)(H,14,15)
InChIKeySZCQGYCDQVOYDH-UHFFFAOYSA-N
XLogP2.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylic acid (CID 17040204) is 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylic acid is CC(C)(C)OC(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is SZCQGYCDQVOYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-8-12(9(14)15)6-4-5-7-12/h4-8H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylic acid?
1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 17040204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).