(4-ethylphenyl)methyl N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)carbamate

C14H20N2O4 — CID 142149738

IUPAC(4-ethylphenyl)methyl N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)carbamate
SMILESCCc1ccc(COC(=O)NC(C)(CO)C(N)=O)cc1
InChIInChI=1S/C14H20N2O4/c1-3-10-4-6-11(7-5-10)8-20-13(19)16-14(2,9-17)12(15)18/h4-7,17H,3,8-9H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyQIXDBEUOAQOPBQ-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.71
Rot. Bonds6

About (4-ethylphenyl)methyl N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)carbamate

(4-ethylphenyl)methyl N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)carbamate (PubChem CID 142149738) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (4-ethylphenyl)methyl N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)carbamate.

Molecular Properties

Compound Name(4-ethylphenyl)methyl N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)carbamate
PubChem CID142149738
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(4-ethylphenyl)methyl N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)carbamate
SMILESCCc1ccc(COC(=O)NC(C)(CO)C(N)=O)cc1
InChIInChI=1S/C14H20N2O4/c1-3-10-4-6-11(7-5-10)8-20-13(19)16-14(2,9-17)12(15)18/h4-7,17H,3,8-9H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyQIXDBEUOAQOPBQ-UHFFFAOYSA-N
XLogP0.71
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-((Benzyloxy)carbonyl)-2-methylalanine
CID 294936
Z-Ser-gly-oet
CID 658436
Benzylcarbonylglycyloxy-L-alanine
CID 99047
benzyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate
CID 12325553
Z-Ala-ser-OH
CID 7020248
(2R)-3-hydroxy-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
CID 69092043
Phenylmethyl N-((1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl)carbamate
CID 7010574
N-(2-(((Benzyloxy)carbonyl)amino)-2-methylpropanoyl)-2-methylalanine
CID 382256
benzyl N-[(2S)-3-hydroxy-1-(methoxyamino)-1-oxopropan-2-yl]carbamate
CID 177645525
Z-Gly-ala-OH
CID 6994034
n-[(Benzyloxy)carbonyl]glycylserine
CID 259595
Methyl n-[(benzyloxy)carbonyl]glycylserinate
CID 286639

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)methyl N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)carbamate?
The IUPAC name of (4-ethylphenyl)methyl N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)carbamate (CID 142149738) is (4-ethylphenyl)methyl N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)carbamate.
What is the SMILES notation for (4-ethylphenyl)methyl N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)carbamate?
The canonical SMILES for (4-ethylphenyl)methyl N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)carbamate is CCc1ccc(COC(=O)NC(C)(CO)C(N)=O)cc1.
What is the InChIKey of (4-ethylphenyl)methyl N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)carbamate?
The InChIKey is QIXDBEUOAQOPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-10-4-6-11(7-5-10)8-20-13(19)16-14(2,9-17)12(15)18/h4-7,17H,3,8-9H2,1-2H3,(H2,15,18)(H,16,19).
What are the key properties of (4-ethylphenyl)methyl N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)carbamate?
(4-ethylphenyl)methyl N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)carbamate has a molecular weight of 280.32 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)methyl N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)carbamate is sourced from PubChem (CID 142149738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).