methyl 3-hydroxy-2-methylidene-5-(phenylmethoxycarbonylamino)pentanoate

C15H19NO5 — CID 10968354

IUPACmethyl 3-hydroxy-2-methylidene-5-(phenylmethoxycarbonylamino)pentanoate
SMILESC=C(C(=O)OC)C(O)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c1-11(14(18)20-2)13(17)8-9-16-15(19)21-10-12-6-4-3-5-7-12/h3-7,13,17H,1,8-10H2,2H3,(H,16,19)
InChIKeyHTVWIXLPHVAJKM-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.39
Rot. Bonds7

About methyl 3-hydroxy-2-methylidene-5-(phenylmethoxycarbonylamino)pentanoate

methyl 3-hydroxy-2-methylidene-5-(phenylmethoxycarbonylamino)pentanoate (PubChem CID 10968354) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 3-hydroxy-2-methylidene-5-(phenylmethoxycarbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-methylidene-5-(phenylmethoxycarbonylamino)pentanoate
PubChem CID10968354
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namemethyl 3-hydroxy-2-methylidene-5-(phenylmethoxycarbonylamino)pentanoate
SMILESC=C(C(=O)OC)C(O)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c1-11(14(18)20-2)13(17)8-9-16-15(19)21-10-12-6-4-3-5-7-12/h3-7,13,17H,1,8-10H2,2H3,(H,16,19)
InChIKeyHTVWIXLPHVAJKM-UHFFFAOYSA-N
XLogP1.39
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
methyl 2-[2-[2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]hydrazinyl]acetate
CID 101227266
benzyl N-[(3S)-3-hydroxypent-4-enyl]carbamate
CID 11042699
benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 125117230
benzyl N-(3,4-dihydroxybutyl)carbamate
CID 66736526
diethyl 2-[2-(phenylmethoxycarbonylamino)ethyl]propanedioate
CID 10903835
benzyl N-[3-(methoxymethoxy)butyl]carbamate
CID 173199640
benzyl N-[(3R)-3-hydroxy-5-oxopentyl]carbamate
CID 153495639
benzyl 2-amino-3-hydroxy-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride
CID 14037134
benzyl N-[(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butyl]carbamate
CID 70035125
ethyl 2-hydroxy-6-(phenylmethoxycarbonylamino)hexanoate
CID 21392364
methyl (2R)-2-(chloroamino)-6-(phenylmethoxycarbonylamino)hexanoate
CID 170067550

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-methylidene-5-(phenylmethoxycarbonylamino)pentanoate?
The IUPAC name of methyl 3-hydroxy-2-methylidene-5-(phenylmethoxycarbonylamino)pentanoate (CID 10968354) is methyl 3-hydroxy-2-methylidene-5-(phenylmethoxycarbonylamino)pentanoate.
What is the SMILES notation for methyl 3-hydroxy-2-methylidene-5-(phenylmethoxycarbonylamino)pentanoate?
The canonical SMILES for methyl 3-hydroxy-2-methylidene-5-(phenylmethoxycarbonylamino)pentanoate is C=C(C(=O)OC)C(O)CCNC(=O)OCc1ccccc1.
What is the InChIKey of methyl 3-hydroxy-2-methylidene-5-(phenylmethoxycarbonylamino)pentanoate?
The InChIKey is HTVWIXLPHVAJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-11(14(18)20-2)13(17)8-9-16-15(19)21-10-12-6-4-3-5-7-12/h3-7,13,17H,1,8-10H2,2H3,(H,16,19).
What are the key properties of methyl 3-hydroxy-2-methylidene-5-(phenylmethoxycarbonylamino)pentanoate?
methyl 3-hydroxy-2-methylidene-5-(phenylmethoxycarbonylamino)pentanoate has a molecular weight of 293.32 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-methylidene-5-(phenylmethoxycarbonylamino)pentanoate is sourced from PubChem (CID 10968354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).