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

C11H19NO4 — CID 2734645

IUPAC1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-11(8(13)14)6-4-5-7-11/h4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyYBZCSKVLXBOFSL-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.91
Rot. Bonds2

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

1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid (PubChem CID 2734645) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
PubChem CID2734645
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-11(8(13)14)6-4-5-7-11/h4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyYBZCSKVLXBOFSL-UHFFFAOYSA-N
XLogP1.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.91
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]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid (CID 2734645) is 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid is CC(C)(C)OC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is YBZCSKVLXBOFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-11(8(13)14)6-4-5-7-11/h4-7H2,1-3H3,(H,12,15)(H,13,14).
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid?
1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 1.91, 2 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]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 2734645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).