methyl 2-[[methoxy-[1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-5-phenylpentanoate

C24H32NO6P — CID 154261371

IUPACmethyl 2-[[methoxy-[1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-5-phenylpentanoate
SMILESCOC(=O)C(CCCc1ccccc1)CP(=O)(OC)C(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C24H32NO6P/c1-19(25-24(27)31-17-21-13-8-5-9-14-21)32(28,30-3)18-22(23(26)29-2)16-10-15-20-11-6-4-7-12-20/h4-9,11-14,19,22H,10,15-18H2,1-3H3,(H,25,27)
InChIKeyICMGHLVUEYUDMY-UHFFFAOYSA-N
MW461.50 g/mol
LogP5.00
Rot. Bonds12

About methyl 2-[[methoxy-[1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-5-phenylpentanoate

methyl 2-[[methoxy-[1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-5-phenylpentanoate (PubChem CID 154261371) has the molecular formula C24H32NO6P and a molecular weight of 461.50 g/mol. Its IUPAC name is methyl 2-[[methoxy-[1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-5-phenylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[methoxy-[1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-5-phenylpentanoate
PubChem CID154261371
Molecular FormulaC24H32NO6P
Molecular Weight461.50 g/mol
Exact Mass461.20
IUPAC Namemethyl 2-[[methoxy-[1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-5-phenylpentanoate
SMILESCOC(=O)C(CCCc1ccccc1)CP(=O)(OC)C(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C24H32NO6P/c1-19(25-24(27)31-17-21-13-8-5-9-14-21)32(28,30-3)18-22(23(26)29-2)16-10-15-20-11-6-4-7-12-20/h4-9,11-14,19,22H,10,15-18H2,1-3H3,(H,25,27)
InChIKeyICMGHLVUEYUDMY-UHFFFAOYSA-N
XLogP5.00
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 12074004
(3R)-3-methoxycarbonyl-6-phenylhexanoic acid
CID 67881908
methyl 2-[[butyl(methoxy)phosphoryl]-(phenylmethoxycarbonylamino)methyl]-3-methylhexanoate
CID 19878106
methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
CID 2734718
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818
methyl (2R,3S)-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoate
CID 56634953
methyl (3R)-2-oxo-3-(phenylmethoxycarbonylamino)butanoate
CID 58773464
benzyl N-[3-[(2-hydroxybenzoyl)amino]butan-2-yl]carbamate
CID 67174902
methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 12675847
triphenyl-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phosphanium
CID 57338291
benzyl N-[(2S)-1-[[(2S)-1-[[(1R)-1-dimethoxyphosphorylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 54326340
(5-cyclohexyl-2-methoxycarbonylpentyl)-[1-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 67913321

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[methoxy-[1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-5-phenylpentanoate?
The IUPAC name of methyl 2-[[methoxy-[1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-5-phenylpentanoate (CID 154261371) is methyl 2-[[methoxy-[1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-5-phenylpentanoate.
What is the SMILES notation for methyl 2-[[methoxy-[1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-5-phenylpentanoate?
The canonical SMILES for methyl 2-[[methoxy-[1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-5-phenylpentanoate is COC(=O)C(CCCc1ccccc1)CP(=O)(OC)C(C)NC(=O)OCc1ccccc1.
What is the InChIKey of methyl 2-[[methoxy-[1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-5-phenylpentanoate?
The InChIKey is ICMGHLVUEYUDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32NO6P/c1-19(25-24(27)31-17-21-13-8-5-9-14-21)32(28,30-3)18-22(23(26)29-2)16-10-15-20-11-6-4-7-12-20/h4-9,11-14,19,22H,10,15-18H2,1-3H3,(H,25,27).
What are the key properties of methyl 2-[[methoxy-[1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-5-phenylpentanoate?
methyl 2-[[methoxy-[1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-5-phenylpentanoate has a molecular weight of 461.50 g/mol, XLogP of 5.00, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[methoxy-[1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-5-phenylpentanoate is sourced from PubChem (CID 154261371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).