phenyl N-(1-amino-3-methoxypropan-2-yl)carbamate

C11H16N2O3 — CID 106181068

IUPACphenyl N-(1-amino-3-methoxypropan-2-yl)carbamate
SMILESCOCC(CN)NC(=O)Oc1ccccc1
InChIInChI=1S/C11H16N2O3/c1-15-8-9(7-12)13-11(14)16-10-5-3-2-4-6-10/h2-6,9H,7-8,12H2,1H3,(H,13,14)
InChIKeyAIWUQPLYSQKOTE-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.75
Rot. Bonds5

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

phenyl N-(1-amino-3-methoxypropan-2-yl)carbamate (PubChem CID 106181068) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is phenyl N-(1-amino-3-methoxypropan-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(1-amino-3-methoxypropan-2-yl)carbamate
PubChem CID106181068
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namephenyl N-(1-amino-3-methoxypropan-2-yl)carbamate
SMILESCOCC(CN)NC(=O)Oc1ccccc1
InChIInChI=1S/C11H16N2O3/c1-15-8-9(7-12)13-11(14)16-10-5-3-2-4-6-10/h2-6,9H,7-8,12H2,1H3,(H,13,14)
InChIKeyAIWUQPLYSQKOTE-UHFFFAOYSA-N
XLogP0.75
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze phenyl N-(1-amino-3-methoxypropan-2-yl)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

methyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate
CID 43407067
2-methylpropyl N-(1-amino-3-methoxypropan-2-yl)carbamate
CID 106181066
phenyl N-(4-amino-4-oxobutan-2-yl)carbamate
CID 115674676
phenyl (2S)-2-formamido-3-methoxypropanoate
CID 101011313
N-(1-amino-3-methoxypropan-2-yl)-2-(difluoromethoxy)benzamide
CID 106180569
1-(1-amino-3-methoxypropan-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 106181144
phenyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
CID 18972767
phenyl N-(3-methoxypropyl)carbamate
CID 60636020
N-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide
CID 106180175
N-(1-amino-3-methoxypropan-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 106180111
N-(1-amino-3-methoxypropan-2-yl)-2,3-dimethylbenzamide
CID 106180025
(2R)-5-amino-2-(phenoxycarbonylamino)pentanoic acid
CID 57295960

Frequently Asked Questions

What is the IUPAC name of phenyl N-(1-amino-3-methoxypropan-2-yl)carbamate?
The IUPAC name of phenyl N-(1-amino-3-methoxypropan-2-yl)carbamate (CID 106181068) is phenyl N-(1-amino-3-methoxypropan-2-yl)carbamate.
What is the SMILES notation for phenyl N-(1-amino-3-methoxypropan-2-yl)carbamate?
The canonical SMILES for phenyl N-(1-amino-3-methoxypropan-2-yl)carbamate is COCC(CN)NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(1-amino-3-methoxypropan-2-yl)carbamate?
The InChIKey is AIWUQPLYSQKOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-15-8-9(7-12)13-11(14)16-10-5-3-2-4-6-10/h2-6,9H,7-8,12H2,1H3,(H,13,14).
What are the key properties of phenyl N-(1-amino-3-methoxypropan-2-yl)carbamate?
phenyl N-(1-amino-3-methoxypropan-2-yl)carbamate has a molecular weight of 224.26 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(1-amino-3-methoxypropan-2-yl)carbamate is sourced from PubChem (CID 106181068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).