tert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate

C14H19NO4 — CID 91260238

IUPACtert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](C(=O)CO)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-12(11(17)9-16)10-7-5-4-6-8-10/h4-8,12,16H,9H2,1-3H3,(H,15,18)/t12-/m0/s1
InChIKeyZGGRMKRCDRQBPZ-LBPRGKRZSA-N
MW265.31 g/mol
LogP1.81
Rot. Bonds4

About tert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate

tert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate (PubChem CID 91260238) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is tert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate
PubChem CID91260238
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nametert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](C(=O)CO)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-12(11(17)9-16)10-7-5-4-6-8-10/h4-8,12,16H,9H2,1-3H3,(H,15,18)/t12-/m0/s1
InChIKeyZGGRMKRCDRQBPZ-LBPRGKRZSA-N
XLogP1.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid;hydrochloride
CID 13017724
tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate
CID 15864552
tert-butyl N-[(1S)-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxo-1-phenylethyl]carbamate
CID 101461135
tert-butyl N-(2-hydrazinyl-2-oxo-1-phenylethyl)carbamate
CID 546260
2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-2-phenylacetic acid
CID 90120378
tert-butyl N-[2-(iodoamino)-2-oxo-1-phenylethyl]carbamate
CID 87741813
tert-butyl N-[(1S)-2-[[(11S)-11-[(2-methylpropan-2-yl)oxycarbonylamino]-10-oxo-11-phenylundecyl]amino]-2-oxo-1-phenylethyl]carbamate
CID 147422632
tert-butyl N-[2-(methoxyamino)-2-oxo-1-phenylethyl]carbamate
CID 110611851
tert-butyl N-[2-(2-methylpropylamino)-2-oxo-1-phenylethyl]carbamate
CID 110406811
4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]benzoic acid
CID 172731528
tert-butyl N-[2-(2-methylpentan-3-ylamino)-2-oxo-1-phenylethyl]carbamate
CID 143420982
ethyl 2-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]prop-2-enoate
CID 134940526

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate (CID 91260238) is tert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate is CC(C)(C)OC(=O)N[C@H](C(=O)CO)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate?
The InChIKey is ZGGRMKRCDRQBPZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-12(11(17)9-16)10-7-5-4-6-8-10/h4-8,12,16H,9H2,1-3H3,(H,15,18)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate?
tert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate has a molecular weight of 265.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate is sourced from PubChem (CID 91260238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).