methyl (2S)-2-ethyl-5-(phenylmethoxycarbonylamino)pentanoate

C16H23NO4 — CID 58058033

IUPACmethyl (2S)-2-ethyl-5-(phenylmethoxycarbonylamino)pentanoate
SMILESCCC(CCCNC(=O)OCc1ccccc1)C(=O)OC
InChIInChI=1S/C16H23NO4/c1-3-14(15(18)20-2)10-7-11-17-16(19)21-12-13-8-5-4-6-9-13/h4-6,8-9,14H,3,7,10-12H2,1-2H3,(H,17,19)
InChIKeyGLPDLUBYKPVPDE-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.89
Rot. Bonds8

About methyl (2S)-2-ethyl-5-(phenylmethoxycarbonylamino)pentanoate

methyl (2S)-2-ethyl-5-(phenylmethoxycarbonylamino)pentanoate (PubChem CID 58058033) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl (2S)-2-ethyl-5-(phenylmethoxycarbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-ethyl-5-(phenylmethoxycarbonylamino)pentanoate
PubChem CID58058033
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl (2S)-2-ethyl-5-(phenylmethoxycarbonylamino)pentanoate
SMILESCCC(CCCNC(=O)OCc1ccccc1)C(=O)OC
InChIInChI=1S/C16H23NO4/c1-3-14(15(18)20-2)10-7-11-17-16(19)21-12-13-8-5-4-6-9-13/h4-6,8-9,14H,3,7,10-12H2,1-2H3,(H,17,19)
InChIKeyGLPDLUBYKPVPDE-UHFFFAOYSA-N
XLogP2.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2S)-2-ethyl-5-(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

ethyl 4-ethyl-3-oxo-7-(phenylmethoxycarbonylamino)heptanoate
CID 121286565
(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 67585772
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl (2S)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
CID 14808145
benzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
CID 14808146
methyl (2R)-2-(chloroamino)-6-(phenylmethoxycarbonylamino)hexanoate
CID 170067550
tert-butyl (2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoate
CID 165151783
benzyl N-(6-methylheptyl)carbamate
CID 59918495
methyl (2R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)pentanoate
CID 14488980
(2R)-2-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid;propane
CID 158989140
2-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 67292704

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-ethyl-5-(phenylmethoxycarbonylamino)pentanoate?
The IUPAC name of methyl (2S)-2-ethyl-5-(phenylmethoxycarbonylamino)pentanoate (CID 58058033) is methyl (2S)-2-ethyl-5-(phenylmethoxycarbonylamino)pentanoate.
What is the SMILES notation for methyl (2S)-2-ethyl-5-(phenylmethoxycarbonylamino)pentanoate?
The canonical SMILES for methyl (2S)-2-ethyl-5-(phenylmethoxycarbonylamino)pentanoate is CCC(CCCNC(=O)OCc1ccccc1)C(=O)OC.
What is the InChIKey of methyl (2S)-2-ethyl-5-(phenylmethoxycarbonylamino)pentanoate?
The InChIKey is GLPDLUBYKPVPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-14(15(18)20-2)10-7-11-17-16(19)21-12-13-8-5-4-6-9-13/h4-6,8-9,14H,3,7,10-12H2,1-2H3,(H,17,19).
What are the key properties of methyl (2S)-2-ethyl-5-(phenylmethoxycarbonylamino)pentanoate?
methyl (2S)-2-ethyl-5-(phenylmethoxycarbonylamino)pentanoate has a molecular weight of 293.36 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-ethyl-5-(phenylmethoxycarbonylamino)pentanoate is sourced from PubChem (CID 58058033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).