[2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoyl]azanium

C14H22N3O3+ — CID 142071263

IUPAC[2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoyl]azanium
SMILESCC(C)(C)OC(=O)Nc1ccc(CC(N)C([NH3+])=O)cc1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)17-10-6-4-9(5-7-10)8-11(15)12(16)18/h4-7,11H,8,15H2,1-3H3,(H2,16,18)(H,17,19)/p+1
InChIKeyXVAAAKXYHFPDNF-UHFFFAOYSA-O
MW280.35 g/mol
LogP0.67
Rot. Bonds4

About [2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoyl]azanium

[2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoyl]azanium (PubChem CID 142071263) has the molecular formula C14H22N3O3+ and a molecular weight of 280.35 g/mol. Its IUPAC name is [2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoyl]azanium.

Molecular Properties

Compound Name[2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoyl]azanium
PubChem CID142071263
Molecular FormulaC14H22N3O3+
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name[2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoyl]azanium
SMILESCC(C)(C)OC(=O)Nc1ccc(CC(N)C([NH3+])=O)cc1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)17-10-6-4-9(5-7-10)8-11(15)12(16)18/h4-7,11H,8,15H2,1-3H3,(H2,16,18)(H,17,19)/p+1
InChIKeyXVAAAKXYHFPDNF-UHFFFAOYSA-O
XLogP0.67
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoyl]azanium 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 2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate
CID 14284326
tert-butyl N-[4-(2,2-difluoroethyl)phenyl]carbamate
CID 122648326
tert-butyl N-[4-(5-acetamido-2-amino-4,4-difluoro-3-hydroxypentyl)phenyl]carbamate
CID 14720150
tert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate
CID 33104899
tert-butyl N-[4-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]phenyl]carbamate
CID 142457429
tert-butyl N-[4-[(2S)-2-amino-3-(1,3-benzoxazol-2-yl)-3-hydroxypropyl]phenyl]carbamate
CID 58473861
tert-butyl 2-amino-3-[4-(benzylamino)phenyl]propanoate
CID 57170607
methyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methylamino]propanoate
CID 107239586
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(2-oxopropanoylamino)phenyl]propanoate
CID 59658349
tert-butyl N-[4-[(trifluoromethylamino)methyl]phenyl]carbamate
CID 174812466
tert-butyl N-[4-(2,3-dihydroxypropylamino)phenyl]carbamate
CID 168596980
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278

Frequently Asked Questions

What is the IUPAC name of [2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoyl]azanium?
The IUPAC name of [2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoyl]azanium (CID 142071263) is [2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoyl]azanium.
What is the SMILES notation for [2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoyl]azanium?
The canonical SMILES for [2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoyl]azanium is CC(C)(C)OC(=O)Nc1ccc(CC(N)C([NH3+])=O)cc1.
What is the InChIKey of [2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoyl]azanium?
The InChIKey is XVAAAKXYHFPDNF-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)17-10-6-4-9(5-7-10)8-11(15)12(16)18/h4-7,11H,8,15H2,1-3H3,(H2,16,18)(H,17,19)/p+1.
What are the key properties of [2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoyl]azanium?
[2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoyl]azanium has a molecular weight of 280.35 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoyl]azanium is sourced from PubChem (CID 142071263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).