2-[2-aminoethyl(phenylmethoxycarbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid

C17H26N2O5 — CID 175532649

IUPAC2-[2-aminoethyl(phenylmethoxycarbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
SMILESCC(C)(C)OCC(C(=O)O)N(CCN)C(=O)OCc1ccccc1
InChIInChI=1S/C17H26N2O5/c1-17(2,3)24-12-14(15(20)21)19(10-9-18)16(22)23-11-13-7-5-4-6-8-13/h4-8,14H,9-12,18H2,1-3H3,(H,20,21)
InChIKeyHARYLMLJYFDJAE-UHFFFAOYSA-N
MW338.40 g/mol
LogP1.85
Rot. Bonds8

About 2-[2-aminoethyl(phenylmethoxycarbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid

2-[2-aminoethyl(phenylmethoxycarbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid (PubChem CID 175532649) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-[2-aminoethyl(phenylmethoxycarbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid.

Molecular Properties

Compound Name2-[2-aminoethyl(phenylmethoxycarbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
PubChem CID175532649
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name2-[2-aminoethyl(phenylmethoxycarbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
SMILESCC(C)(C)OCC(C(=O)O)N(CCN)C(=O)OCc1ccccc1
InChIInChI=1S/C17H26N2O5/c1-17(2,3)24-12-14(15(20)21)19(10-9-18)16(22)23-11-13-7-5-4-6-8-13/h4-8,14H,9-12,18H2,1-3H3,(H,20,21)
InChIKeyHARYLMLJYFDJAE-UHFFFAOYSA-N
XLogP1.85
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-aminoethyl(phenylmethoxycarbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid 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

(2S)-2-[(2-methylpropan-2-yl)oxymethyl-phenylmethoxycarbonylamino]propanoic acid
CID 70094016
(2R)-2-[tert-butyl(phenylmethoxycarbonyl)amino]-3-hydroxypropanoic acid
CID 69435084
methyl (2R)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-phenylmethoxycarbonylamino]-4-phenylbutanoate
CID 171550580
ethyl 2-[[1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-(2-oxo-2-phenylmethoxyethyl)amino]acetate
CID 157444349
(2S)-2-[methyl-[(2S)-2-[(2-methylpropan-2-yl)oxymethyl]-4-oxo-4-phenylmethoxybutanoyl]amino]-3-phenylpropanoic acid
CID 163831748
3-(3-methyl-3-phenylmethoxybutoxy)-2-[methyl(phenylmethoxycarbonyl)amino]propanoic acid
CID 146471794
benzyl N-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamate;formic acid
CID 143574648
methyl (2R)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-phenylmethoxycarbonylamino]butanoate
CID 59322115
(2R)-4-methyl-2-[phenylmethoxycarbonyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]pentanoic acid
CID 11744070
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-4-phenylmethoxybutanoic acid
CID 11101928
(2R)-6-amino-2-[methyl(phenylmethoxycarbonyl)amino]hexanoic acid
CID 162974941

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(phenylmethoxycarbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid?
The IUPAC name of 2-[2-aminoethyl(phenylmethoxycarbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid (CID 175532649) is 2-[2-aminoethyl(phenylmethoxycarbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid.
What is the SMILES notation for 2-[2-aminoethyl(phenylmethoxycarbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid?
The canonical SMILES for 2-[2-aminoethyl(phenylmethoxycarbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid is CC(C)(C)OCC(C(=O)O)N(CCN)C(=O)OCc1ccccc1.
What is the InChIKey of 2-[2-aminoethyl(phenylmethoxycarbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid?
The InChIKey is HARYLMLJYFDJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-17(2,3)24-12-14(15(20)21)19(10-9-18)16(22)23-11-13-7-5-4-6-8-13/h4-8,14H,9-12,18H2,1-3H3,(H,20,21).
What are the key properties of 2-[2-aminoethyl(phenylmethoxycarbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid?
2-[2-aminoethyl(phenylmethoxycarbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid has a molecular weight of 338.40 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(phenylmethoxycarbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid is sourced from PubChem (CID 175532649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).