2-[(2-aminoacetyl)amino]-3-[2,6-di(propan-2-yl)phenoxy]carbonyloxybutanoic acid

C19H28N2O6 — CID 143778517

IUPAC2-[(2-aminoacetyl)amino]-3-[2,6-di(propan-2-yl)phenoxy]carbonyloxybutanoic acid
SMILESCC(C)c1cccc(C(C)C)c1OC(=O)OC(C)C(NC(=O)CN)C(=O)O
InChIInChI=1S/C19H28N2O6/c1-10(2)13-7-6-8-14(11(3)4)17(13)27-19(25)26-12(5)16(18(23)24)21-15(22)9-20/h6-8,10-12,16H,9,20H2,1-5H3,(H,21,22)(H,23,24)
InChIKeyRNHSNNRDTZTYHM-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.37
Rot. Bonds8

About 2-[(2-aminoacetyl)amino]-3-[2,6-di(propan-2-yl)phenoxy]carbonyloxybutanoic acid

2-[(2-aminoacetyl)amino]-3-[2,6-di(propan-2-yl)phenoxy]carbonyloxybutanoic acid (PubChem CID 143778517) has the molecular formula C19H28N2O6 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-3-[2,6-di(propan-2-yl)phenoxy]carbonyloxybutanoic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-3-[2,6-di(propan-2-yl)phenoxy]carbonyloxybutanoic acid
PubChem CID143778517
Molecular FormulaC19H28N2O6
Molecular Weight380.44 g/mol
Exact Mass380.19
IUPAC Name2-[(2-aminoacetyl)amino]-3-[2,6-di(propan-2-yl)phenoxy]carbonyloxybutanoic acid
SMILESCC(C)c1cccc(C(C)C)c1OC(=O)OC(C)C(NC(=O)CN)C(=O)O
InChIInChI=1S/C19H28N2O6/c1-10(2)13-7-6-8-14(11(3)4)17(13)27-19(25)26-12(5)16(18(23)24)21-15(22)9-20/h6-8,10-12,16H,9,20H2,1-5H3,(H,21,22)(H,23,24)
InChIKeyRNHSNNRDTZTYHM-UHFFFAOYSA-N
XLogP2.37
TPSA127.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(2-aminoacetyl)amino]-3-[2,6-di(propan-2-yl)phenoxy]carbonyloxybutanoic 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

bis((2S)-2-amino-3-[2,6-di(propan-2-yl)phenoxy]carbonyloxypropanoic acid);methanesulfonic acid;hydrochloride
CID 160650244
2-[[4-[2,6-di(propan-2-yl)phenoxy]-4-oxobutanoyl]amino]acetic acid
CID 71533847
[2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate
CID 117064047
2-amino-N-[(2S)-3-methyl-1-oxo-1-phenylbutan-2-yl]acetamide
CID 141277075
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoic acid
CID 4182583
[2,6-di(propan-2-yl)phenyl] N-(2-amino-2-phenylethyl)carbamate
CID 15675184
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
[2,6-di(propan-2-yl)phenyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 130300874
methyl 2-[2-(aminomethyl)-3-propan-2-ylphenyl]acetate
CID 174486187
[2,6-di(propan-2-yl)phenyl] 3-hydroxy-2-[hydroxy(phenyl)methyl]-3-phenylpropanoate
CID 101200141
(2-cyano-6-propan-2-ylphenyl) methyl carbonate
CID 134168255
(2-butan-2-yl-6-propan-2-ylphenyl) N-[(1R)-1-phenylethyl]carbamate
CID 59509797

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-3-[2,6-di(propan-2-yl)phenoxy]carbonyloxybutanoic acid?
The IUPAC name of 2-[(2-aminoacetyl)amino]-3-[2,6-di(propan-2-yl)phenoxy]carbonyloxybutanoic acid (CID 143778517) is 2-[(2-aminoacetyl)amino]-3-[2,6-di(propan-2-yl)phenoxy]carbonyloxybutanoic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-3-[2,6-di(propan-2-yl)phenoxy]carbonyloxybutanoic acid?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-3-[2,6-di(propan-2-yl)phenoxy]carbonyloxybutanoic acid is CC(C)c1cccc(C(C)C)c1OC(=O)OC(C)C(NC(=O)CN)C(=O)O.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-3-[2,6-di(propan-2-yl)phenoxy]carbonyloxybutanoic acid?
The InChIKey is RNHSNNRDTZTYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O6/c1-10(2)13-7-6-8-14(11(3)4)17(13)27-19(25)26-12(5)16(18(23)24)21-15(22)9-20/h6-8,10-12,16H,9,20H2,1-5H3,(H,21,22)(H,23,24).
What are the key properties of 2-[(2-aminoacetyl)amino]-3-[2,6-di(propan-2-yl)phenoxy]carbonyloxybutanoic acid?
2-[(2-aminoacetyl)amino]-3-[2,6-di(propan-2-yl)phenoxy]carbonyloxybutanoic acid has a molecular weight of 380.44 g/mol, XLogP of 2.37, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]-3-[2,6-di(propan-2-yl)phenoxy]carbonyloxybutanoic acid is sourced from PubChem (CID 143778517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).