phenyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate

C12H16N2O3 — CID 18972767

IUPACphenyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
SMILESCC(C)C(NC(=O)Oc1ccccc1)C(N)=O
InChIInChI=1S/C12H16N2O3/c1-8(2)10(11(13)15)14-12(16)17-9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H2,13,15)(H,14,16)
InChIKeyRHKRUJUJDPCFFW-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.28
Rot. Bonds4

About phenyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate

phenyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate (PubChem CID 18972767) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is phenyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
PubChem CID18972767
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namephenyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
SMILESCC(C)C(NC(=O)Oc1ccccc1)C(N)=O
InChIInChI=1S/C12H16N2O3/c1-8(2)10(11(13)15)14-12(16)17-9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H2,13,15)(H,14,16)
InChIKeyRHKRUJUJDPCFFW-UHFFFAOYSA-N
XLogP1.28
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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phenyl N-(4-amino-4-oxobutan-2-yl)carbamate
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phenyl N-[(2S)-4-amino-1-[[(2R)-butan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
CID 41329856
phenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
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phenyl N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxobutan-2-yl]carbamate
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phenyl 2-bromo-3-methylbutanoate
CID 11832060
(3-carboxyoxyphenyl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
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phenyl N-(3-methyl-2-propan-2-ylbutyl)carbamate
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(2S)-2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-3-methylbutanamide
CID 66657959
2-[(2-anilinoacetyl)amino]-3-methylbutanamide
CID 113248506
methyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate
CID 43407067

Frequently Asked Questions

What is the IUPAC name of phenyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate?
The IUPAC name of phenyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate (CID 18972767) is phenyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate.
What is the SMILES notation for phenyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate?
The canonical SMILES for phenyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate is CC(C)C(NC(=O)Oc1ccccc1)C(N)=O.
What is the InChIKey of phenyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate?
The InChIKey is RHKRUJUJDPCFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(2)10(11(13)15)14-12(16)17-9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of phenyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate?
phenyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate has a molecular weight of 236.27 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate is sourced from PubChem (CID 18972767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).