pentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate

C19H27NO4 — CID 91699747

IUPACpentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
SMILESCCCCCOC(=O)C1(NC(=O)OCc2ccccc2)CCCC1
InChIInChI=1S/C19H27NO4/c1-2-3-9-14-23-17(21)19(12-7-8-13-19)20-18(22)24-15-16-10-5-4-6-11-16/h4-6,10-11H,2-3,7-9,12-15H2,1H3,(H,20,22)
InChIKeyRZHJUWSCYZKDBS-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.96
Rot. Bonds8

About pentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate

pentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate (PubChem CID 91699747) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is pentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namepentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
PubChem CID91699747
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Namepentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
SMILESCCCCCOC(=O)C1(NC(=O)OCc2ccccc2)CCCC1
InChIInChI=1S/C19H27NO4/c1-2-3-9-14-23-17(21)19(12-7-8-13-19)20-18(22)24-15-16-10-5-4-6-11-16/h4-6,10-11H,2-3,7-9,12-15H2,1H3,(H,20,22)
InChIKeyRZHJUWSCYZKDBS-UHFFFAOYSA-N
XLogP3.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.96
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
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
N-((Phenylmethoxy)carbonyl)-D-phenylalanine ethenyl ester
CID 47328
N-Benzyloxycarbonyl-DL-phenylalanine vinyl ester
CID 47329
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

Frequently Asked Questions

What is the IUPAC name of pentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate?
The IUPAC name of pentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate (CID 91699747) is pentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for pentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate?
The canonical SMILES for pentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate is CCCCCOC(=O)C1(NC(=O)OCc2ccccc2)CCCC1.
What is the InChIKey of pentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate?
The InChIKey is RZHJUWSCYZKDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-2-3-9-14-23-17(21)19(12-7-8-13-19)20-18(22)24-15-16-10-5-4-6-11-16/h4-6,10-11H,2-3,7-9,12-15H2,1H3,(H,20,22).
What are the key properties of pentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate?
pentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 91699747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).