phenyl N-(4-amino-4-oxobutan-2-yl)carbamate

C11H14N2O3 — CID 115674676

IUPACphenyl N-(4-amino-4-oxobutan-2-yl)carbamate
SMILESCC(CC(N)=O)NC(=O)Oc1ccccc1
InChIInChI=1S/C11H14N2O3/c1-8(7-10(12)14)13-11(15)16-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyLCMYVADSMQTYDF-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.04
Rot. Bonds4

About phenyl N-(4-amino-4-oxobutan-2-yl)carbamate

phenyl N-(4-amino-4-oxobutan-2-yl)carbamate (PubChem CID 115674676) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is phenyl N-(4-amino-4-oxobutan-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-amino-4-oxobutan-2-yl)carbamate
PubChem CID115674676
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namephenyl N-(4-amino-4-oxobutan-2-yl)carbamate
SMILESCC(CC(N)=O)NC(=O)Oc1ccccc1
InChIInChI=1S/C11H14N2O3/c1-8(7-10(12)14)13-11(15)16-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyLCMYVADSMQTYDF-UHFFFAOYSA-N
XLogP1.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-[(2S)-4-amino-1-[[(2R)-butan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
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CID 115631343
phenyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
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N-(4-amino-4-oxobutan-2-yl)benzamide
CID 47112685
phenyl N-[(2S)-4-amino-1,4-dioxo-1-(4-phenylanilino)butan-2-yl]carbamate
CID 126007670
(3S)-3-(phenylcarbamoylamino)butanamide
CID 95777024
phenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate
CID 61124407
5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid
CID 23278909
phenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate
CID 61068601
(2R)-3-methyl-2-(phenoxycarbonylamino)butanoic acid
CID 14186251
propan-2-yl N-(4-amino-4-oxobutan-2-yl)carbamate
CID 116657976
methyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate
CID 43407067

Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-amino-4-oxobutan-2-yl)carbamate?
The IUPAC name of phenyl N-(4-amino-4-oxobutan-2-yl)carbamate (CID 115674676) is phenyl N-(4-amino-4-oxobutan-2-yl)carbamate.
What is the SMILES notation for phenyl N-(4-amino-4-oxobutan-2-yl)carbamate?
The canonical SMILES for phenyl N-(4-amino-4-oxobutan-2-yl)carbamate is CC(CC(N)=O)NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(4-amino-4-oxobutan-2-yl)carbamate?
The InChIKey is LCMYVADSMQTYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(7-10(12)14)13-11(15)16-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of phenyl N-(4-amino-4-oxobutan-2-yl)carbamate?
phenyl N-(4-amino-4-oxobutan-2-yl)carbamate has a molecular weight of 222.24 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-amino-4-oxobutan-2-yl)carbamate is sourced from PubChem (CID 115674676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).