methyl 2-[methyl-[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphanyl]oxypropanoate

C17H26NO5P — CID 57311493

IUPACmethyl 2-[methyl-[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphanyl]oxypropanoate
SMILESCOC(=O)C(C)OP(C)C(NC(=O)OCc1ccccc1)C(C)C
InChIInChI=1S/C17H26NO5P/c1-12(2)15(24(5)23-13(3)16(19)21-4)18-17(20)22-11-14-9-7-6-8-10-14/h6-10,12-13,15H,11H2,1-5H3,(H,18,20)
InChIKeyNQOOSOWXUSDWNX-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.50
Rot. Bonds8

About methyl 2-[methyl-[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphanyl]oxypropanoate

methyl 2-[methyl-[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphanyl]oxypropanoate (PubChem CID 57311493) has the molecular formula C17H26NO5P and a molecular weight of 355.37 g/mol. Its IUPAC name is methyl 2-[methyl-[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphanyl]oxypropanoate.

Molecular Properties

Compound Namemethyl 2-[methyl-[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphanyl]oxypropanoate
PubChem CID57311493
Molecular FormulaC17H26NO5P
Molecular Weight355.37 g/mol
Exact Mass355.15
IUPAC Namemethyl 2-[methyl-[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphanyl]oxypropanoate
SMILESCOC(=O)C(C)OP(C)C(NC(=O)OCc1ccccc1)C(C)C
InChIInChI=1S/C17H26NO5P/c1-12(2)15(24(5)23-13(3)16(19)21-4)18-17(20)22-11-14-9-7-6-8-10-14/h6-10,12-13,15H,11H2,1-5H3,(H,18,20)
InChIKeyNQOOSOWXUSDWNX-UHFFFAOYSA-N
XLogP3.50
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphonous acid
CID 21325852
methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 12675847
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818
methyl (2R,3S)-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoate
CID 56634953
methyl 2,3-bis(phenylmethoxycarbonylamino)propanoate
CID 130148530
benzyl N-[(2S)-3-methyl-1-[8-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]octylamino]-1-oxobutan-2-yl]carbamate
CID 71491089
benzyl N-[(2S)-3-methyl-1-[7-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]heptylamino]-1-oxobutan-2-yl]carbamate
CID 71491088
methyl 2-(phenylmethoxycarbonylamino)butanoate
CID 562283
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535
triphenyl-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phosphanium
CID 57338291
methyl 4-hydroxy-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 77177528
methyl (3S)-4-methyl-3-(phenylmethoxycarbonylamino)pentanoate
CID 71742201

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphanyl]oxypropanoate?
The IUPAC name of methyl 2-[methyl-[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphanyl]oxypropanoate (CID 57311493) is methyl 2-[methyl-[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphanyl]oxypropanoate.
What is the SMILES notation for methyl 2-[methyl-[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphanyl]oxypropanoate?
The canonical SMILES for methyl 2-[methyl-[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphanyl]oxypropanoate is COC(=O)C(C)OP(C)C(NC(=O)OCc1ccccc1)C(C)C.
What is the InChIKey of methyl 2-[methyl-[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphanyl]oxypropanoate?
The InChIKey is NQOOSOWXUSDWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26NO5P/c1-12(2)15(24(5)23-13(3)16(19)21-4)18-17(20)22-11-14-9-7-6-8-10-14/h6-10,12-13,15H,11H2,1-5H3,(H,18,20).
What are the key properties of methyl 2-[methyl-[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphanyl]oxypropanoate?
methyl 2-[methyl-[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphanyl]oxypropanoate has a molecular weight of 355.37 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphanyl]oxypropanoate is sourced from PubChem (CID 57311493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).