2-hydroxy-2-methyl-3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoic acid

C14H18N2O5 — CID 66172158

IUPAC2-hydroxy-2-methyl-3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoic acid
SMILESCc1cccc(C(=O)NCC(=O)NCC(C)(O)C(=O)O)c1
InChIInChI=1S/C14H18N2O5/c1-9-4-3-5-10(6-9)12(18)15-7-11(17)16-8-14(2,21)13(19)20/h3-6,21H,7-8H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyCBSWTYCXNOUCPT-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.32
Rot. Bonds6

About 2-hydroxy-2-methyl-3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoic acid

2-hydroxy-2-methyl-3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoic acid (PubChem CID 66172158) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoic acid
PubChem CID66172158
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-hydroxy-2-methyl-3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoic acid
SMILESCc1cccc(C(=O)NCC(=O)NCC(C)(O)C(=O)O)c1
InChIInChI=1S/C14H18N2O5/c1-9-4-3-5-10(6-9)12(18)15-7-11(17)16-8-14(2,21)13(19)20/h3-6,21H,7-8H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyCBSWTYCXNOUCPT-UHFFFAOYSA-N
XLogP-0.32
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3-methylbenzamide
CID 65112131
3-[[2-[(4-bromobenzoyl)amino]acetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66174010
3-methyl-N-[2-[(2-methyl-2-piperidin-1-ylpropyl)amino]-2-oxoethyl]benzamide
CID 51164327
3-[(3,5-dimethylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66171951
3-methyl-N-phenacylbenzamide
CID 3417494
3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide
CID 51241490
tert-butyl N-[2-[3-[(3-methylbenzoyl)amino]propylamino]-2-oxoethyl]carbamate
CID 108918762
2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 66171794
2-methyl-4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 80537249
methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate
CID 60637105
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
CID 26584037
N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 34675021

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoic acid (CID 66172158) is 2-hydroxy-2-methyl-3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoic acid is Cc1cccc(C(=O)NCC(=O)NCC(C)(O)C(=O)O)c1.
What is the InChIKey of 2-hydroxy-2-methyl-3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoic acid?
The InChIKey is CBSWTYCXNOUCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-9-4-3-5-10(6-9)12(18)15-7-11(17)16-8-14(2,21)13(19)20/h3-6,21H,7-8H2,1-2H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 2-hydroxy-2-methyl-3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoic acid?
2-hydroxy-2-methyl-3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoic acid has a molecular weight of 294.31 g/mol, XLogP of -0.32, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 66172158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).