methyl 5-oxo-4-(phenylmethoxycarbonylamino)pentanoate

C14H17NO5 — CID 138593284

IUPACmethyl 5-oxo-4-(phenylmethoxycarbonylamino)pentanoate
SMILESCOC(=O)CCC(C=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H17NO5/c1-19-13(17)8-7-12(9-16)15-14(18)20-10-11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H,15,18)
InChIKeyMKQOZFPYTXNORN-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.43
Rot. Bonds7

About methyl 5-oxo-4-(phenylmethoxycarbonylamino)pentanoate

methyl 5-oxo-4-(phenylmethoxycarbonylamino)pentanoate (PubChem CID 138593284) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is methyl 5-oxo-4-(phenylmethoxycarbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl 5-oxo-4-(phenylmethoxycarbonylamino)pentanoate
PubChem CID138593284
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Namemethyl 5-oxo-4-(phenylmethoxycarbonylamino)pentanoate
SMILESCOC(=O)CCC(C=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H17NO5/c1-19-13(17)8-7-12(9-16)15-14(18)20-10-11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H,15,18)
InChIKeyMKQOZFPYTXNORN-UHFFFAOYSA-N
XLogP1.43
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 18711702
benzyl 4-(phenylmethoxycarbonylamino)hex-5-enoate
CID 142642454
1-O-tert-butyl 5-O-methyl (2R)-2-(phenylmethoxycarbonylamino)pentanedioate
CID 10594076
1-O-benzyl 5-O-methyl (2S)-2-aminopentanedioate
CID 56777388
methyl-N-[6-oxo-5-(phenylmethoxycarbonylamino)hexyl]boronamidic acid
CID 174089107
benzyl N-[(2S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopentan-2-yl]carbamate
CID 87844984
benzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate
CID 175899923
4-(phenylmethoxycarbonylamino)hex-5-enoic acid
CID 90135730
benzyl N-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate
CID 59013213
methyl 7-hydroxy-6-(phenylmethoxycarbonylamino)heptanoate
CID 170020317
benzyl N-[(2R)-1-oxo-3-(4-propan-2-ylphenyl)propan-2-yl]carbamate
CID 89155610
methyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 11833969

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-4-(phenylmethoxycarbonylamino)pentanoate?
The IUPAC name of methyl 5-oxo-4-(phenylmethoxycarbonylamino)pentanoate (CID 138593284) is methyl 5-oxo-4-(phenylmethoxycarbonylamino)pentanoate.
What is the SMILES notation for methyl 5-oxo-4-(phenylmethoxycarbonylamino)pentanoate?
The canonical SMILES for methyl 5-oxo-4-(phenylmethoxycarbonylamino)pentanoate is COC(=O)CCC(C=O)NC(=O)OCc1ccccc1.
What is the InChIKey of methyl 5-oxo-4-(phenylmethoxycarbonylamino)pentanoate?
The InChIKey is MKQOZFPYTXNORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-19-13(17)8-7-12(9-16)15-14(18)20-10-11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H,15,18).
What are the key properties of methyl 5-oxo-4-(phenylmethoxycarbonylamino)pentanoate?
methyl 5-oxo-4-(phenylmethoxycarbonylamino)pentanoate has a molecular weight of 279.29 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-4-(phenylmethoxycarbonylamino)pentanoate is sourced from PubChem (CID 138593284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).