methyl N-[(2S)-4-phenylbutan-2-yl]carbamate

C12H17NO2 — CID 888027

IUPACmethyl N-[(2S)-4-phenylbutan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C12H17NO2/c1-10(13-12(14)15-2)8-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyPQARRPNUWVTQLX-JTQLQIEISA-N
MW207.27 g/mol
LogP2.36
Rot. Bonds4

About methyl N-[(2S)-4-phenylbutan-2-yl]carbamate

methyl N-[(2S)-4-phenylbutan-2-yl]carbamate (PubChem CID 888027) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl N-[(2S)-4-phenylbutan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-4-phenylbutan-2-yl]carbamate
PubChem CID888027
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl N-[(2S)-4-phenylbutan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C12H17NO2/c1-10(13-12(14)15-2)8-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyPQARRPNUWVTQLX-JTQLQIEISA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate
CID 107247631
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496
N-(4-phenylbutan-2-yl)-2-sulfanylacetamide
CID 60650069
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 143330073
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
(2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 807864
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-4-phenylbutan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-4-phenylbutan-2-yl]carbamate (CID 888027) is methyl N-[(2S)-4-phenylbutan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-4-phenylbutan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-4-phenylbutan-2-yl]carbamate is COC(=O)N[C@@H](C)CCc1ccccc1.
What is the InChIKey of methyl N-[(2S)-4-phenylbutan-2-yl]carbamate?
The InChIKey is PQARRPNUWVTQLX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(13-12(14)15-2)8-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of methyl N-[(2S)-4-phenylbutan-2-yl]carbamate?
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate has a molecular weight of 207.27 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-4-phenylbutan-2-yl]carbamate is sourced from PubChem (CID 888027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).