(1R,2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]cyclopentane-1-carboxylic acid

C14H23NO4 — CID 173472060

IUPAC(1R,2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]cyclopentane-1-carboxylic acid
SMILESCC(/C=C1/CCC[C@H]1C(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO4/c1-9(15-13(18)19-14(2,3)4)8-10-6-5-7-11(10)12(16)17/h8-9,11H,5-7H2,1-4H3,(H,15,18)(H,16,17)/b10-8-/t9?,11-/m1/s1
InChIKeyYJDXRODRFXGUQI-DYFMCTEESA-N
MW269.34 g/mol
LogP2.71
Rot. Bonds3

About (1R,2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]cyclopentane-1-carboxylic acid

(1R,2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]cyclopentane-1-carboxylic acid (PubChem CID 173472060) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is (1R,2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]cyclopentane-1-carboxylic acid
PubChem CID173472060
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name(1R,2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]cyclopentane-1-carboxylic acid
SMILESCC(/C=C1/CCC[C@H]1C(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO4/c1-9(15-13(18)19-14(2,3)4)8-10-6-5-7-11(10)12(16)17/h8-9,11H,5-7H2,1-4H3,(H,15,18)(H,16,17)/b10-8-/t9?,11-/m1/s1
InChIKeyYJDXRODRFXGUQI-DYFMCTEESA-N
XLogP2.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]cyclopentane-1-carboxylic acid?
The IUPAC name of (1R,2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]cyclopentane-1-carboxylic acid (CID 173472060) is (1R,2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]cyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R,2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]cyclopentane-1-carboxylic acid?
The canonical SMILES for (1R,2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]cyclopentane-1-carboxylic acid is CC(/C=C1/CCC[C@H]1C(=O)O)NC(=O)OC(C)(C)C.
What is the InChIKey of (1R,2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]cyclopentane-1-carboxylic acid?
The InChIKey is YJDXRODRFXGUQI-DYFMCTEESA-N. The full InChI is InChI=1S/C14H23NO4/c1-9(15-13(18)19-14(2,3)4)8-10-6-5-7-11(10)12(16)17/h8-9,11H,5-7H2,1-4H3,(H,15,18)(H,16,17)/b10-8-/t9?,11-/m1/s1.
What are the key properties of (1R,2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]cyclopentane-1-carboxylic acid?
(1R,2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]cyclopentane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 173472060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).