2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylcarbamoyl]phenyl]propanoic acid

C15H20N2O5 — CID 154779860

IUPAC2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylcarbamoyl]phenyl]propanoic acid
SMILESCC(C)(C)OC(=O)NC(=O)c1ccc(CC(N)C(=O)O)cc1
InChIInChI=1S/C15H20N2O5/c1-15(2,3)22-14(21)17-12(18)10-6-4-9(5-7-10)8-11(16)13(19)20/h4-7,11H,8,16H2,1-3H3,(H,19,20)(H,17,18,21)
InChIKeyAONPJKJGIRFCEH-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.31
Rot. Bonds4

About 2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylcarbamoyl]phenyl]propanoic acid

2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylcarbamoyl]phenyl]propanoic acid (PubChem CID 154779860) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylcarbamoyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylcarbamoyl]phenyl]propanoic acid
PubChem CID154779860
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylcarbamoyl]phenyl]propanoic acid
SMILESCC(C)(C)OC(=O)NC(=O)c1ccc(CC(N)C(=O)O)cc1
InChIInChI=1S/C15H20N2O5/c1-15(2,3)22-14(21)17-12(18)10-6-4-9(5-7-10)8-11(16)13(19)20/h4-7,11H,8,16H2,1-3H3,(H,19,20)(H,17,18,21)
InChIKeyAONPJKJGIRFCEH-UHFFFAOYSA-N
XLogP1.31
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-[4-[[3-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropylidene]amino]phenyl]propanoic acid
CID 162130971
(2S)-2-amino-3-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]phenyl]propanoic acid
CID 21345433
2-amino-3-[4-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid
CID 117115210
tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 58912430
(2S)-2-amino-3-[4-[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]phenyl]propanoic acid
CID 175327393
tert-butyl N-(4-methoxybenzoyl)carbamate
CID 14221825
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
methyl (2S)-2-amino-3-phenylpropanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 131711306
methyl 2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate
CID 14284326
(2S)-2-amino-3-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]propanoic acid
CID 168721470
3-[4-[(N-methyl-C-methylsulfanylcarbonimidoyl)carbamoyl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 118138666

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylcarbamoyl]phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylcarbamoyl]phenyl]propanoic acid (CID 154779860) is 2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylcarbamoyl]phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylcarbamoyl]phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylcarbamoyl]phenyl]propanoic acid is CC(C)(C)OC(=O)NC(=O)c1ccc(CC(N)C(=O)O)cc1.
What is the InChIKey of 2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylcarbamoyl]phenyl]propanoic acid?
The InChIKey is AONPJKJGIRFCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-15(2,3)22-14(21)17-12(18)10-6-4-9(5-7-10)8-11(16)13(19)20/h4-7,11H,8,16H2,1-3H3,(H,19,20)(H,17,18,21).
What are the key properties of 2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylcarbamoyl]phenyl]propanoic acid?
2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylcarbamoyl]phenyl]propanoic acid has a molecular weight of 308.33 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylcarbamoyl]phenyl]propanoic acid is sourced from PubChem (CID 154779860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).