benzyl N-[(2R)-2-dimethoxyphosphoryl-3,3-dimethylbutan-2-yl]carbamate

C16H26NO5P — CID 101460306

IUPACbenzyl N-[(2R)-2-dimethoxyphosphoryl-3,3-dimethylbutan-2-yl]carbamate
SMILESCOP(=O)(OC)[C@@](C)(NC(=O)OCc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H26NO5P/c1-15(2,3)16(4,23(19,20-5)21-6)17-14(18)22-12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3,(H,17,18)/t16-/m1/s1
InChIKeyLGJQPJGOMWCCQB-MRXNPFEDSA-N
MW343.36 g/mol
LogP4.16
Rot. Bonds6

About benzyl N-[(2R)-2-dimethoxyphosphoryl-3,3-dimethylbutan-2-yl]carbamate

benzyl N-[(2R)-2-dimethoxyphosphoryl-3,3-dimethylbutan-2-yl]carbamate (PubChem CID 101460306) has the molecular formula C16H26NO5P and a molecular weight of 343.36 g/mol. Its IUPAC name is benzyl N-[(2R)-2-dimethoxyphosphoryl-3,3-dimethylbutan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-2-dimethoxyphosphoryl-3,3-dimethylbutan-2-yl]carbamate
PubChem CID101460306
Molecular FormulaC16H26NO5P
Molecular Weight343.36 g/mol
Exact Mass343.15
IUPAC Namebenzyl N-[(2R)-2-dimethoxyphosphoryl-3,3-dimethylbutan-2-yl]carbamate
SMILESCOP(=O)(OC)[C@@](C)(NC(=O)OCc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H26NO5P/c1-15(2,3)16(4,23(19,20-5)21-6)17-14(18)22-12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3,(H,17,18)/t16-/m1/s1
InChIKeyLGJQPJGOMWCCQB-MRXNPFEDSA-N
XLogP4.16
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 54.16
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

(2S)-2-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 51683257
methyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 140762631
lithium benzyl N-(2-methylbut-3-yn-2-yl)carbamate
CID 87939839
benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate
CID 139247228
(2S)-4-chloro-2-methyl-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
CID 87094408
methyl (2S)-3,3,3-trifluoro-2-methyl-2-(phenylmethoxycarbonylamino)propanoate
CID 102354501
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
2-[2-methyl-2-(phenylmethoxycarbonylamino)propylidene]propanedioic acid
CID 68666360
methyl 3-hydroxy-2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 86193669
benzyl N-[(2S,3R)-3-hydroxy-2-phenylbutan-2-yl]carbamate
CID 11208783
methyl (3R)-3-methyl-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate
CID 118284148
methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
CID 2734718

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-2-dimethoxyphosphoryl-3,3-dimethylbutan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-2-dimethoxyphosphoryl-3,3-dimethylbutan-2-yl]carbamate (CID 101460306) is benzyl N-[(2R)-2-dimethoxyphosphoryl-3,3-dimethylbutan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-2-dimethoxyphosphoryl-3,3-dimethylbutan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-2-dimethoxyphosphoryl-3,3-dimethylbutan-2-yl]carbamate is COP(=O)(OC)[C@@](C)(NC(=O)OCc1ccccc1)C(C)(C)C.
What is the InChIKey of benzyl N-[(2R)-2-dimethoxyphosphoryl-3,3-dimethylbutan-2-yl]carbamate?
The InChIKey is LGJQPJGOMWCCQB-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26NO5P/c1-15(2,3)16(4,23(19,20-5)21-6)17-14(18)22-12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3,(H,17,18)/t16-/m1/s1.
What are the key properties of benzyl N-[(2R)-2-dimethoxyphosphoryl-3,3-dimethylbutan-2-yl]carbamate?
benzyl N-[(2R)-2-dimethoxyphosphoryl-3,3-dimethylbutan-2-yl]carbamate has a molecular weight of 343.36 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-2-dimethoxyphosphoryl-3,3-dimethylbutan-2-yl]carbamate is sourced from PubChem (CID 101460306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).