[(2S)-2-amino-3-phenylmethoxybutyl] carbamate

C12H18N2O3 — CID 90463692

IUPAC[(2S)-2-amino-3-phenylmethoxybutyl] carbamate
SMILESCC(OCc1ccccc1)[C@@H](N)COC(N)=O
InChIInChI=1S/C12H18N2O3/c1-9(11(13)8-17-12(14)15)16-7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3,(H2,14,15)/t9?,11-/m0/s1
InChIKeyDCJKNKDGSAVCOT-UMJHXOGRSA-N
MW238.29 g/mol
LogP1.01
Rot. Bonds6

About [(2S)-2-amino-3-phenylmethoxybutyl] carbamate

[(2S)-2-amino-3-phenylmethoxybutyl] carbamate (PubChem CID 90463692) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is [(2S)-2-amino-3-phenylmethoxybutyl] carbamate.

Molecular Properties

Compound Name[(2S)-2-amino-3-phenylmethoxybutyl] carbamate
PubChem CID90463692
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name[(2S)-2-amino-3-phenylmethoxybutyl] carbamate
SMILESCC(OCc1ccccc1)[C@@H](N)COC(N)=O
InChIInChI=1S/C12H18N2O3/c1-9(11(13)8-17-12(14)15)16-7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3,(H2,14,15)/t9?,11-/m0/s1
InChIKeyDCJKNKDGSAVCOT-UMJHXOGRSA-N
XLogP1.01
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-3-phenylmethoxybutyl) carbamate
CID 58079589
2-amino-3-phenylmethoxybutan-1-ol;methane
CID 162219428
2-amino-3-phenylmethoxybutanoic acid;hydrochloride
CID 53434211
(2R,3R)-2-[(1R)-1-aminoethyl]-3-phenylmethoxybutanoic acid
CID 10799879
benzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate
CID 7019780
(2R)-2-amino-2-phenylmethoxyacetamide
CID 129192787
(2R,4S)-2,3-dimethyl-4-phenylmethoxypentanoic acid
CID 134864943
(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
benzyl carbamate;heptahydrochloride
CID 141351835
(2-benzyl-3-methylbutyl) carbamate
CID 67758924
acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate
CID 172866706

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-3-phenylmethoxybutyl] carbamate?
The IUPAC name of [(2S)-2-amino-3-phenylmethoxybutyl] carbamate (CID 90463692) is [(2S)-2-amino-3-phenylmethoxybutyl] carbamate.
What is the SMILES notation for [(2S)-2-amino-3-phenylmethoxybutyl] carbamate?
The canonical SMILES for [(2S)-2-amino-3-phenylmethoxybutyl] carbamate is CC(OCc1ccccc1)[C@@H](N)COC(N)=O.
What is the InChIKey of [(2S)-2-amino-3-phenylmethoxybutyl] carbamate?
The InChIKey is DCJKNKDGSAVCOT-UMJHXOGRSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(11(13)8-17-12(14)15)16-7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3,(H2,14,15)/t9?,11-/m0/s1.
What are the key properties of [(2S)-2-amino-3-phenylmethoxybutyl] carbamate?
[(2S)-2-amino-3-phenylmethoxybutyl] carbamate has a molecular weight of 238.29 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-amino-3-phenylmethoxybutyl] carbamate is sourced from PubChem (CID 90463692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).