tert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate

C14H22N2O2 — CID 102077726

IUPACtert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate
SMILESC[C@@H](N)[C@H](NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-10(15)12(11-8-6-5-7-9-11)16-13(17)18-14(2,3)4/h5-10,12H,15H2,1-4H3,(H,16,17)/t10-,12+/m1/s1
InChIKeyDTKPKZJZDMQSQF-PWSUYJOCSA-N
MW250.34 g/mol
LogP2.60
Rot. Bonds3

About tert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate

tert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate (PubChem CID 102077726) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate
PubChem CID102077726
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nametert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate
SMILESC[C@@H](N)[C@H](NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-10(15)12(11-8-6-5-7-9-11)16-13(17)18-14(2,3)4/h5-10,12H,15H2,1-4H3,(H,16,17)/t10-,12+/m1/s1
InChIKeyDTKPKZJZDMQSQF-PWSUYJOCSA-N
XLogP2.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-amino-2-hydroxy-1-phenylethyl)carbamate
CID 20805642
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 56828048
(1S,2R)-1-amino-1-phenylpropan-2-ol;tert-butyl N-[(1S,2R)-2-hydroxy-1-phenylpropyl]carbamate
CID 157326736
tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate
CID 15294700
tert-butyl N-(2-methyl-3-oxo-1-phenylpropyl)carbamate
CID 24788666
tert-butyl N-[(1R,2R)-2-nitro-1-phenylpropyl]carbamate
CID 102077718
(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 7010686
tert-butyl N-[(1R)-2,2-dicyano-1-phenylethyl]carbamate
CID 122398460
tert-butyl N-(2-ethyl-1-phenylbutyl)carbamate
CID 18378512
ethyl (2S)-2-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]-3-oxobutanoate
CID 46913460
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
tert-butyl N-(1-amino-3-methyl-1-phenylbutan-2-yl)carbamate
CID 102537977

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate (CID 102077726) is tert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate is C[C@@H](N)[C@H](NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate?
The InChIKey is DTKPKZJZDMQSQF-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(15)12(11-8-6-5-7-9-11)16-13(17)18-14(2,3)4/h5-10,12H,15H2,1-4H3,(H,16,17)/t10-,12+/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate?
tert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate has a molecular weight of 250.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate is sourced from PubChem (CID 102077726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).