tert-butyl N-[(2S,3R)-4-amino-3-methoxy-1-phenylbutan-2-yl]carbamate

C16H26N2O3 — CID 10040112

IUPACtert-butyl N-[(2S,3R)-4-amino-3-methoxy-1-phenylbutan-2-yl]carbamate
SMILESCO[C@H](CN)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O3/c1-16(2,3)21-15(19)18-13(14(11-17)20-4)10-12-8-6-5-7-9-12/h5-9,13-14H,10-11,17H2,1-4H3,(H,18,19)/t13-,14+/m0/s1
InChIKeyNOIHJCARXQKSSI-UONOGXRCSA-N
MW294.39 g/mol
LogP2.10
Rot. Bonds6

About tert-butyl N-[(2S,3R)-4-amino-3-methoxy-1-phenylbutan-2-yl]carbamate

tert-butyl N-[(2S,3R)-4-amino-3-methoxy-1-phenylbutan-2-yl]carbamate (PubChem CID 10040112) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-4-amino-3-methoxy-1-phenylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R)-4-amino-3-methoxy-1-phenylbutan-2-yl]carbamate
PubChem CID10040112
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Nametert-butyl N-[(2S,3R)-4-amino-3-methoxy-1-phenylbutan-2-yl]carbamate
SMILESCO[C@H](CN)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O3/c1-16(2,3)21-15(19)18-13(14(11-17)20-4)10-12-8-6-5-7-9-12/h5-9,13-14H,10-11,17H2,1-4H3,(H,18,19)/t13-,14+/m0/s1
InChIKeyNOIHJCARXQKSSI-UONOGXRCSA-N
XLogP2.10
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2S,3R)-4-amino-3-methoxy-1-phenylbutan-2-yl]carbamate with MolForge

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Related Compounds

Solriamfetol
CID 10130337
Di-Tert-Butyl {iminobis[(2s,3s)-3-Hydroxy-1-Phenylbutane-4,2-Diyl]}biscarbamate
CID 447617
Solriamfetol Hydrochloride
CID 67583702
Solriamfetol (2-amino-3-phenylpropyl carbamate; benzenepropanol, beta-amino-, carbamate (ester))
CID 11708214
(R)-4-Benzyl-2-oxazolidinone
CID 2734969
propan-2-yl N-[(2S,3R)-3-hydroxy-4-{[(2R,3S)-2-hydroxy-4-phenyl-3-{[(propan-2-yloxy)carbonyl]amino}butyl]amino}-1-phenylbutan-2-yl]carbamate
CID 455715
tert-butyl N-[(2S,3R)-4-{[(2R,3S)-3-{[(tert-butylsulfanyl)carbonyl]amino}-2-hydroxy-4-phenylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 455717
tert-butyl N-[(2S,3R)-4-{[(2R,3S)-3-[(tert-butylcarbamoyl)amino]-2-hydroxy-4-phenylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 455718
L-Iditol, 1,2,5,6-tetradeoxy-2,5-bis(((1,1-dimethylethoxy)carbonyl)amino)-1,6-diphenyl-
CID 452451
L-Altritol, 1,2,5,6-tetradeoxy-2,5-bis(((1,1-dimethylethoxy)carbonyl)amino)-1,6-diphenyl-
CID 452453
tert-butyl N-[(1S,2S,4S)-1-benzyl-4-(tert-butoxycarbonylamino)-2-hydroxy-5-phenyl-pentyl]carbamate
CID 454384
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 2733675

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R)-4-amino-3-methoxy-1-phenylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3R)-4-amino-3-methoxy-1-phenylbutan-2-yl]carbamate (CID 10040112) is tert-butyl N-[(2S,3R)-4-amino-3-methoxy-1-phenylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R)-4-amino-3-methoxy-1-phenylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3R)-4-amino-3-methoxy-1-phenylbutan-2-yl]carbamate is CO[C@H](CN)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3R)-4-amino-3-methoxy-1-phenylbutan-2-yl]carbamate?
The InChIKey is NOIHJCARXQKSSI-UONOGXRCSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(2,3)21-15(19)18-13(14(11-17)20-4)10-12-8-6-5-7-9-12/h5-9,13-14H,10-11,17H2,1-4H3,(H,18,19)/t13-,14+/m0/s1.
What are the key properties of tert-butyl N-[(2S,3R)-4-amino-3-methoxy-1-phenylbutan-2-yl]carbamate?
tert-butyl N-[(2S,3R)-4-amino-3-methoxy-1-phenylbutan-2-yl]carbamate has a molecular weight of 294.39 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3R)-4-amino-3-methoxy-1-phenylbutan-2-yl]carbamate is sourced from PubChem (CID 10040112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).