methyl N-[2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]carbamate

C13H16N2O3 — CID 175694319

IUPACmethyl N-[2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]carbamate
SMILESC=C[C@@H](C)C(=O)Nc1ccccc1NC(=O)OC
InChIInChI=1S/C13H16N2O3/c1-4-9(2)12(16)14-10-7-5-6-8-11(10)15-13(17)18-3/h4-9H,1H2,2-3H3,(H,14,16)(H,15,17)/t9-/m1/s1
InChIKeyWVEMIEQGGCODOM-SECBINFHSA-N
MW248.28 g/mol
LogP2.63
Rot. Bonds4

About methyl N-[2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]carbamate

methyl N-[2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]carbamate (PubChem CID 175694319) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is methyl N-[2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]carbamate
PubChem CID175694319
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namemethyl N-[2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]carbamate
SMILESC=C[C@@H](C)C(=O)Nc1ccccc1NC(=O)OC
InChIInChI=1S/C13H16N2O3/c1-4-9(2)12(16)14-10-7-5-6-8-11(10)15-13(17)18-3/h4-9H,1H2,2-3H3,(H,14,16)(H,15,17)/t9-/m1/s1
InChIKeyWVEMIEQGGCODOM-SECBINFHSA-N
XLogP2.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl N-[2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate
CID 95247758
methyl N-(2-hydroxyphenyl)carbamate
CID 819280
prop-2-enyl 2-(methoxycarbonylamino)benzoate
CID 101058820
methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate
CID 4594667
N-[2-[1-[(5-chloro-2-pyridinyl)amino]ethenyl]phenyl]-2-methylbut-3-enamide
CID 143233978
[(2S)-1-[1-[2-(2-methylbut-3-enoylamino)phenyl]ethylamino]-1-oxopent-4-en-2-yl]carbamic acid
CID 134519943
methyl N-(2-nitrosophenyl)carbamate
CID 45122951
methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864
2-methoxy-N-(2-prop-2-enylsulfanylphenyl)propanamide
CID 113225560
but-1-ene;ethane;methyl N-[2-[(E)-but-1-enyl]phenyl]carbamate
CID 145294176
methyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate
CID 20667567
methyl N-(2-methylsulfonylphenyl)carbamate
CID 117062831

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]carbamate?
The IUPAC name of methyl N-[2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]carbamate (CID 175694319) is methyl N-[2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]carbamate?
The canonical SMILES for methyl N-[2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]carbamate is C=C[C@@H](C)C(=O)Nc1ccccc1NC(=O)OC.
What is the InChIKey of methyl N-[2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]carbamate?
The InChIKey is WVEMIEQGGCODOM-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-4-9(2)12(16)14-10-7-5-6-8-11(10)15-13(17)18-3/h4-9H,1H2,2-3H3,(H,14,16)(H,15,17)/t9-/m1/s1.
What are the key properties of methyl N-[2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]carbamate?
methyl N-[2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]carbamate has a molecular weight of 248.28 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]carbamate is sourced from PubChem (CID 175694319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).