cyclopentyl 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C15H26BrNO4 — CID 68700756

IUPACcyclopentyl 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCC(Br)CC(NC(=O)OC(C)(C)C)C(=O)OC1CCCC1
InChIInChI=1S/C15H26BrNO4/c1-10(16)9-12(17-14(19)21-15(2,3)4)13(18)20-11-7-5-6-8-11/h10-12H,5-9H2,1-4H3,(H,17,19)
InChIKeyAXGARJLOWJRKRB-UHFFFAOYSA-N
MW364.28 g/mol
LogP3.54
Rot. Bonds5

About cyclopentyl 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

cyclopentyl 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 68700756) has the molecular formula C15H26BrNO4 and a molecular weight of 364.28 g/mol. Its IUPAC name is cyclopentyl 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Namecyclopentyl 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID68700756
Molecular FormulaC15H26BrNO4
Molecular Weight364.28 g/mol
Exact Mass363.10
IUPAC Namecyclopentyl 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCC(Br)CC(NC(=O)OC(C)(C)C)C(=O)OC1CCCC1
InChIInChI=1S/C15H26BrNO4/c1-10(16)9-12(17-14(19)21-15(2,3)4)13(18)20-11-7-5-6-8-11/h10-12H,5-9H2,1-4H3,(H,17,19)
InChIKeyAXGARJLOWJRKRB-UHFFFAOYSA-N
XLogP3.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclopentyl 3-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 138108432
CID 89270420
CID 89270420
cyclopentyl (2S)-2-amino-4-methylpentanoate;cyclopentyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrochloride
CID 159324937
5-cyclopentyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 68967684
cyclopropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 159673903
tert-butyl 4-[(2S)-3-cyclopentyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazole-1-carboxylate
CID 122538743
tert-butyl 4-[3-cyclopentyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazole-1-carboxylate
CID 122538742
cyclopropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoate
CID 91201222
methyl 3-(cyclopentylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 171680870
(5S)-7-cyclohexyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4,7-dioxo-2-propan-2-ylheptanoic acid
CID 10525791
oxan-4-yl (2S)-3-(2-hydroxypropan-2-yloxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 170970345
cyclopentyl (2S)-3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 87542878

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of cyclopentyl 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 68700756) is cyclopentyl 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for cyclopentyl 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for cyclopentyl 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is CC(Br)CC(NC(=O)OC(C)(C)C)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is AXGARJLOWJRKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrNO4/c1-10(16)9-12(17-14(19)21-15(2,3)4)13(18)20-11-7-5-6-8-11/h10-12H,5-9H2,1-4H3,(H,17,19).
What are the key properties of cyclopentyl 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
cyclopentyl 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 364.28 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 68700756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).