(Z)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid

C15H25NO4 — CID 129050654

IUPAC(Z)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid
SMILESCC(C)(C)OC(=O)N/C(=C\CCC1CCCC1)C(=O)O
InChIInChI=1S/C15H25NO4/c1-15(2,3)20-14(19)16-12(13(17)18)10-6-9-11-7-4-5-8-11/h10-11H,4-9H2,1-3H3,(H,16,19)(H,17,18)/b12-10-
InChIKeyONSCACJYVOUAAE-BENRWUELSA-N
MW283.37 g/mol
LogP3.45
Rot. Bonds5

About (Z)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid

(Z)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid (PubChem CID 129050654) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is (Z)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid.

Molecular Properties

Compound Name(Z)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid
PubChem CID129050654
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name(Z)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid
SMILESCC(C)(C)OC(=O)N/C(=C\CCC1CCCC1)C(=O)O
InChIInChI=1S/C15H25NO4/c1-15(2,3)20-14(19)16-12(13(17)18)10-6-9-11-7-4-5-8-11/h10-11H,4-9H2,1-3H3,(H,16,19)(H,17,18)/b12-10-
InChIKeyONSCACJYVOUAAE-BENRWUELSA-N
XLogP3.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid with MolForge

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Related Compounds

acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypent-2-enoic acid
CID 66744702
tert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate
CID 84728252
(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2755927
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
(3R)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 20814414
tert-butyl N-(cyclohexylmethylamino)carbamate;ethane
CID 143072952
methyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate
CID 14370745
(2S)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 171702983
tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate
CID 59383028
tert-butyl N-(1-cyclopentyl-2-methyl-3-oxopropan-2-yl)carbamate
CID 84729309
tert-butyl N-(cyclobutylmethylamino)carbamate
CID 58693863

Frequently Asked Questions

What is the IUPAC name of (Z)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid?
The IUPAC name of (Z)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid (CID 129050654) is (Z)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid.
What is the SMILES notation for (Z)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid?
The canonical SMILES for (Z)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid is CC(C)(C)OC(=O)N/C(=C\CCC1CCCC1)C(=O)O.
What is the InChIKey of (Z)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid?
The InChIKey is ONSCACJYVOUAAE-BENRWUELSA-N. The full InChI is InChI=1S/C15H25NO4/c1-15(2,3)20-14(19)16-12(13(17)18)10-6-9-11-7-4-5-8-11/h10-11H,4-9H2,1-3H3,(H,16,19)(H,17,18)/b12-10-.
What are the key properties of (Z)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid?
(Z)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid has a molecular weight of 283.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid is sourced from PubChem (CID 129050654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).