ethyl (2R)-5-oxo-5-(pentylamino)-2-(phenylmethoxycarbonylamino)pentanoate

C20H30N2O5 — CID 11079384

IUPACethyl (2R)-5-oxo-5-(pentylamino)-2-(phenylmethoxycarbonylamino)pentanoate
SMILESCCCCCNC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCC
InChIInChI=1S/C20H30N2O5/c1-3-5-9-14-21-18(23)13-12-17(19(24)26-4-2)22-20(25)27-15-16-10-7-6-8-11-16/h6-8,10-11,17H,3-5,9,12-15H2,1-2H3,(H,21,23)(H,22,25)/t17-/m1/s1
InChIKeyJICLJTMCBUXQSC-QGZVFWFLSA-N
MW378.47 g/mol
LogP2.93
Rot. Bonds12

About ethyl (2R)-5-oxo-5-(pentylamino)-2-(phenylmethoxycarbonylamino)pentanoate

ethyl (2R)-5-oxo-5-(pentylamino)-2-(phenylmethoxycarbonylamino)pentanoate (PubChem CID 11079384) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is ethyl (2R)-5-oxo-5-(pentylamino)-2-(phenylmethoxycarbonylamino)pentanoate.

Molecular Properties

Compound Nameethyl (2R)-5-oxo-5-(pentylamino)-2-(phenylmethoxycarbonylamino)pentanoate
PubChem CID11079384
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Nameethyl (2R)-5-oxo-5-(pentylamino)-2-(phenylmethoxycarbonylamino)pentanoate
SMILESCCCCCNC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCC
InChIInChI=1S/C20H30N2O5/c1-3-5-9-14-21-18(23)13-12-17(19(24)26-4-2)22-20(25)27-15-16-10-7-6-8-11-16/h6-8,10-11,17H,3-5,9,12-15H2,1-2H3,(H,21,23)(H,22,25)/t17-/m1/s1
InChIKeyJICLJTMCBUXQSC-QGZVFWFLSA-N
XLogP2.93
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl (2R)-5-oxo-5-(pentylamino)-2-(phenylmethoxycarbonylamino)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

MG-132
CID 462382
Calpeptin
CID 73364
benzyloxycarbonyl-L-arginine
CID 71055
Z-Devd-fmk
CID 16760394
Z-Ile-Glu(OtBu)-Ala-Leu-aldehyde
CID 9960660
MG-262
CID 490002
AK 295
CID 183798
IN2-(benzyloxycarbonyl)-N6-(tert-butoxycarbonyl)-L-lysine
CID 98765
MG-115
CID 9868928
L-Glutamic acid, N-((phenylmethoxy)carbonyl)-
CID 70866
Leucine, N-carboxy-, N-benzyl ester, L-
CID 74840
N-alpha-t-Butyloxycarbonyl-D-glutamic acid benzyl ester
CID 7010515

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-5-oxo-5-(pentylamino)-2-(phenylmethoxycarbonylamino)pentanoate?
The IUPAC name of ethyl (2R)-5-oxo-5-(pentylamino)-2-(phenylmethoxycarbonylamino)pentanoate (CID 11079384) is ethyl (2R)-5-oxo-5-(pentylamino)-2-(phenylmethoxycarbonylamino)pentanoate.
What is the SMILES notation for ethyl (2R)-5-oxo-5-(pentylamino)-2-(phenylmethoxycarbonylamino)pentanoate?
The canonical SMILES for ethyl (2R)-5-oxo-5-(pentylamino)-2-(phenylmethoxycarbonylamino)pentanoate is CCCCCNC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl (2R)-5-oxo-5-(pentylamino)-2-(phenylmethoxycarbonylamino)pentanoate?
The InChIKey is JICLJTMCBUXQSC-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-3-5-9-14-21-18(23)13-12-17(19(24)26-4-2)22-20(25)27-15-16-10-7-6-8-11-16/h6-8,10-11,17H,3-5,9,12-15H2,1-2H3,(H,21,23)(H,22,25)/t17-/m1/s1.
What are the key properties of ethyl (2R)-5-oxo-5-(pentylamino)-2-(phenylmethoxycarbonylamino)pentanoate?
ethyl (2R)-5-oxo-5-(pentylamino)-2-(phenylmethoxycarbonylamino)pentanoate has a molecular weight of 378.47 g/mol, XLogP of 2.93, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-5-oxo-5-(pentylamino)-2-(phenylmethoxycarbonylamino)pentanoate is sourced from PubChem (CID 11079384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).