[(2R)-2-amino-3-phenylpropyl] N-carbamoyl-N-methylcarbamate

C12H17N3O3 — CID 118351614

IUPAC[(2R)-2-amino-3-phenylpropyl] N-carbamoyl-N-methylcarbamate
SMILESCN(C(N)=O)C(=O)OC[C@H](N)Cc1ccccc1
InChIInChI=1S/C12H17N3O3/c1-15(11(14)16)12(17)18-8-10(13)7-9-5-3-2-4-6-9/h2-6,10H,7-8,13H2,1H3,(H2,14,16)/t10-/m1/s1
InChIKeyYDJNCDFVCITCRO-SNVBAGLBSA-N
MW251.29 g/mol
LogP0.70
Rot. Bonds4

About [(2R)-2-amino-3-phenylpropyl] N-carbamoyl-N-methylcarbamate

[(2R)-2-amino-3-phenylpropyl] N-carbamoyl-N-methylcarbamate (PubChem CID 118351614) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is [(2R)-2-amino-3-phenylpropyl] N-carbamoyl-N-methylcarbamate.

Molecular Properties

Compound Name[(2R)-2-amino-3-phenylpropyl] N-carbamoyl-N-methylcarbamate
PubChem CID118351614
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name[(2R)-2-amino-3-phenylpropyl] N-carbamoyl-N-methylcarbamate
SMILESCN(C(N)=O)C(=O)OC[C@H](N)Cc1ccccc1
InChIInChI=1S/C12H17N3O3/c1-15(11(14)16)12(17)18-8-10(13)7-9-5-3-2-4-6-9/h2-6,10H,7-8,13H2,1H3,(H2,14,16)/t10-/m1/s1
InChIKeyYDJNCDFVCITCRO-SNVBAGLBSA-N
XLogP0.70
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate
CID 172866706
[(2R)-2-amino-3-phenylpropyl] acetate;[(2S)-2-amino-3-phenylpropyl] carbamate
CID 160831000
[(2S)-2-amino-3-phenylpropyl] 2-methylpropanoate;hydrochloride
CID 68669537
(2-amino-3-phenylpropoxy)carbonylazanium
CID 152772339
(2-amino-3-phenylpropyl) 2,2-dimethylpropanoate
CID 20769130
(2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid
CID 175923615
(2-amino-3-phenylpropyl) N-(2-amino-2-oxoethyl)carbamate
CID 140687105
1-(2-amino-3-phenylpropoxy)ethenol
CID 91268849
(2-amino-3-phenylpropyl) 2-methylbenzoate
CID 162385429
[(2R)-1-[carbamoyl(methyl)carbamoyl]oxy-3-(4-methylphenyl)propan-2-yl]azanium chloride
CID 160667231
3-amino-N,N-dimethyl-4-phenylbutanamide
CID 70115085
[(2R)-2-amino-3-phenylpropyl]-methylcarbamic acid
CID 150832768

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-3-phenylpropyl] N-carbamoyl-N-methylcarbamate?
The IUPAC name of [(2R)-2-amino-3-phenylpropyl] N-carbamoyl-N-methylcarbamate (CID 118351614) is [(2R)-2-amino-3-phenylpropyl] N-carbamoyl-N-methylcarbamate.
What is the SMILES notation for [(2R)-2-amino-3-phenylpropyl] N-carbamoyl-N-methylcarbamate?
The canonical SMILES for [(2R)-2-amino-3-phenylpropyl] N-carbamoyl-N-methylcarbamate is CN(C(N)=O)C(=O)OC[C@H](N)Cc1ccccc1.
What is the InChIKey of [(2R)-2-amino-3-phenylpropyl] N-carbamoyl-N-methylcarbamate?
The InChIKey is YDJNCDFVCITCRO-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-15(11(14)16)12(17)18-8-10(13)7-9-5-3-2-4-6-9/h2-6,10H,7-8,13H2,1H3,(H2,14,16)/t10-/m1/s1.
What are the key properties of [(2R)-2-amino-3-phenylpropyl] N-carbamoyl-N-methylcarbamate?
[(2R)-2-amino-3-phenylpropyl] N-carbamoyl-N-methylcarbamate has a molecular weight of 251.29 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-amino-3-phenylpropyl] N-carbamoyl-N-methylcarbamate is sourced from PubChem (CID 118351614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).