4-methylpentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate

C20H29NO4 — CID 91699750

IUPAC4-methylpentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
SMILESCC(C)CCCOC(=O)C1(NC(=O)OCc2ccccc2)CCCC1
InChIInChI=1S/C20H29NO4/c1-16(2)9-8-14-24-18(22)20(12-6-7-13-20)21-19(23)25-15-17-10-4-3-5-11-17/h3-5,10-11,16H,6-9,12-15H2,1-2H3,(H,21,23)
InChIKeyQHAOCASRSRSJMG-UHFFFAOYSA-N
MW347.45 g/mol
LogP4.20
Rot. Bonds8

About 4-methylpentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate

4-methylpentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate (PubChem CID 91699750) has the molecular formula C20H29NO4 and a molecular weight of 347.45 g/mol. Its IUPAC name is 4-methylpentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name4-methylpentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
PubChem CID91699750
Molecular FormulaC20H29NO4
Molecular Weight347.45 g/mol
Exact Mass347.21
IUPAC Name4-methylpentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
SMILESCC(C)CCCOC(=O)C1(NC(=O)OCc2ccccc2)CCCC1
InChIInChI=1S/C20H29NO4/c1-16(2)9-8-14-24-18(22)20(12-6-7-13-20)21-19(23)25-15-17-10-4-3-5-11-17/h3-5,10-11,16H,6-9,12-15H2,1-2H3,(H,21,23)
InChIKeyQHAOCASRSRSJMG-UHFFFAOYSA-N
XLogP4.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

IN2-(benzyloxycarbonyl)-N6-(tert-butoxycarbonyl)-L-lysine
CID 98765
Leucine, N-carboxy-, N-benzyl ester, L-
CID 74840
Methyl 2-(2-{[(benzyloxy)carbonyl]amino}-3-methylbutanamido)acetate
CID 4432220
N-((Phenylmethoxy)carbonyl)-L-phenylalanine ethyl ester
CID 34309
2-(((Benzyloxy)carbonyl)amino)-4-methylpentanoic acid
CID 246673
N-((Benzyloxy)carbonyl)-2-methylalanine
CID 294936
N-[(Phenylmethoxy)carbonyl]-L-isoleucine
CID 2724772
Boc-Lys(Z)-OH
CID 2724765
Leucine, N-carboxy-, N-benzyl 1-(1,2-dibromoethyl) ester, L-
CID 174025
Leucine, N-carboxy-, N-benzyl 1-vinyl ester
CID 3048969
N-benzyloxycarbonyl-L-isoleucine
CID 102945
1-(Benzyloxycarbonylamino)-cyclobutyl-1-carboxylic acid
CID 1512648

Frequently Asked Questions

What is the IUPAC name of 4-methylpentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate?
The IUPAC name of 4-methylpentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate (CID 91699750) is 4-methylpentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for 4-methylpentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate?
The canonical SMILES for 4-methylpentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate is CC(C)CCCOC(=O)C1(NC(=O)OCc2ccccc2)CCCC1.
What is the InChIKey of 4-methylpentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate?
The InChIKey is QHAOCASRSRSJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-16(2)9-8-14-24-18(22)20(12-6-7-13-20)21-19(23)25-15-17-10-4-3-5-11-17/h3-5,10-11,16H,6-9,12-15H2,1-2H3,(H,21,23).
What are the key properties of 4-methylpentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate?
4-methylpentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate has a molecular weight of 347.45 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 91699750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).