benzyl N-[(2S)-2-aminopentanoyl]-N-(dimethoxyphosphorylmethyl)carbamate

C16H25N2O6P — CID 54208107

IUPACbenzyl N-[(2S)-2-aminopentanoyl]-N-(dimethoxyphosphorylmethyl)carbamate
SMILESCCC[C@H](N)C(=O)N(CP(=O)(OC)OC)C(=O)OCc1ccccc1
InChIInChI=1S/C16H25N2O6P/c1-4-8-14(17)15(19)18(12-25(21,22-2)23-3)16(20)24-11-13-9-6-5-7-10-13/h5-7,9-10,14H,4,8,11-12,17H2,1-3H3/t14-/m0/s1
InChIKeyPTZADTWCBIRMRR-AWEZNQCLSA-N
MW372.36 g/mol
LogP2.72
Rot. Bonds9

About benzyl N-[(2S)-2-aminopentanoyl]-N-(dimethoxyphosphorylmethyl)carbamate

benzyl N-[(2S)-2-aminopentanoyl]-N-(dimethoxyphosphorylmethyl)carbamate (PubChem CID 54208107) has the molecular formula C16H25N2O6P and a molecular weight of 372.36 g/mol. Its IUPAC name is benzyl N-[(2S)-2-aminopentanoyl]-N-(dimethoxyphosphorylmethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-2-aminopentanoyl]-N-(dimethoxyphosphorylmethyl)carbamate
PubChem CID54208107
Molecular FormulaC16H25N2O6P
Molecular Weight372.36 g/mol
Exact Mass372.15
IUPAC Namebenzyl N-[(2S)-2-aminopentanoyl]-N-(dimethoxyphosphorylmethyl)carbamate
SMILESCCC[C@H](N)C(=O)N(CP(=O)(OC)OC)C(=O)OCc1ccccc1
InChIInChI=1S/C16H25N2O6P/c1-4-8-14(17)15(19)18(12-25(21,22-2)23-3)16(20)24-11-13-9-6-5-7-10-13/h5-7,9-10,14H,4,8,11-12,17H2,1-3H3/t14-/m0/s1
InChIKeyPTZADTWCBIRMRR-AWEZNQCLSA-N
XLogP2.72
TPSA108.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2S)-2-amino-3-phenylpropanoyl]-phenylmethoxycarbonylamino]acetic acid
CID 70053043
(2S)-2-amino-N-benzyl-N-(2-methoxyethyl)pentanamide
CID 93367288
benzyl 2-amino-4-methoxybutanoate
CID 62479875
2-amino-N-ethyl-N-(1-phenylbutan-2-yl)pentanamide
CID 119337188
benzyl N-ethyl-N-(2-methylpropyl)carbamate
CID 130580876
benzyl N-[(2S,3S)-2-amino-3-methylpentanoyl]-N-methoxycarbamate
CID 22868379
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-ethyl-N-propylcarbamate
CID 126656974
[(2R)-1-oxo-1-phenylmethoxypentan-2-yl]azanium
CID 7350020
benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine
CID 175696861
2-[bis(phenylmethoxycarbonyl)amino]propanoic acid
CID 18466015
ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 59729658

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-2-aminopentanoyl]-N-(dimethoxyphosphorylmethyl)carbamate?
The IUPAC name of benzyl N-[(2S)-2-aminopentanoyl]-N-(dimethoxyphosphorylmethyl)carbamate (CID 54208107) is benzyl N-[(2S)-2-aminopentanoyl]-N-(dimethoxyphosphorylmethyl)carbamate.
What is the SMILES notation for benzyl N-[(2S)-2-aminopentanoyl]-N-(dimethoxyphosphorylmethyl)carbamate?
The canonical SMILES for benzyl N-[(2S)-2-aminopentanoyl]-N-(dimethoxyphosphorylmethyl)carbamate is CCC[C@H](N)C(=O)N(CP(=O)(OC)OC)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-2-aminopentanoyl]-N-(dimethoxyphosphorylmethyl)carbamate?
The InChIKey is PTZADTWCBIRMRR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N2O6P/c1-4-8-14(17)15(19)18(12-25(21,22-2)23-3)16(20)24-11-13-9-6-5-7-10-13/h5-7,9-10,14H,4,8,11-12,17H2,1-3H3/t14-/m0/s1.
What are the key properties of benzyl N-[(2S)-2-aminopentanoyl]-N-(dimethoxyphosphorylmethyl)carbamate?
benzyl N-[(2S)-2-aminopentanoyl]-N-(dimethoxyphosphorylmethyl)carbamate has a molecular weight of 372.36 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-2-aminopentanoyl]-N-(dimethoxyphosphorylmethyl)carbamate is sourced from PubChem (CID 54208107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).