2-[methyl-[2-[[3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopropyl]amino]acetyl]amino]acetic acid

C17H23N3O6 — CID 138694680

IUPAC2-[methyl-[2-[[3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopropyl]amino]acetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CNCC(=O)CN(C)C(=O)OCc1ccccc1
InChIInChI=1S/C17H23N3O6/c1-19(11-16(23)24)15(22)9-18-8-14(21)10-20(2)17(25)26-12-13-6-4-3-5-7-13/h3-7,18H,8-12H2,1-2H3,(H,23,24)
InChIKeyYYAWAINTQKVYEU-UHFFFAOYSA-N
MW365.39 g/mol
LogP-0.04
Rot. Bonds10

About 2-[methyl-[2-[[3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopropyl]amino]acetyl]amino]acetic acid

2-[methyl-[2-[[3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopropyl]amino]acetyl]amino]acetic acid (PubChem CID 138694680) has the molecular formula C17H23N3O6 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-[methyl-[2-[[3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopropyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-[[3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopropyl]amino]acetyl]amino]acetic acid
PubChem CID138694680
Molecular FormulaC17H23N3O6
Molecular Weight365.39 g/mol
Exact Mass365.16
IUPAC Name2-[methyl-[2-[[3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopropyl]amino]acetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CNCC(=O)CN(C)C(=O)OCc1ccccc1
InChIInChI=1S/C17H23N3O6/c1-19(11-16(23)24)15(22)9-18-8-14(21)10-20(2)17(25)26-12-13-6-4-3-5-7-13/h3-7,18H,8-12H2,1-2H3,(H,23,24)
InChIKeyYYAWAINTQKVYEU-UHFFFAOYSA-N
XLogP-0.04
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
CID 177128218
2-[methyl-[2-[(2-methyl-4-oxo-4-phenylmethoxybutan-2-yl)amino]acetyl]amino]acetic acid
CID 134541445
benzyl N-[2-[[(1R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylcarbamate
CID 170615975
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
benzyl N-cyclopropyloxy-N-methylcarbamate
CID 169312845
[methyl(phenylmethoxycarbonyl)amino]methyl benzoate
CID 143845150
benzyl N-methyl-N-(5-oxopentyl)carbamate
CID 86722745
benzyl N-[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-N-methylcarbamate
CID 44724470
benzyl N-(3-chloro-3-oxopropyl)-N-methylcarbamate
CID 58137041
benzyl N-(1,3-dihydroisoindol-2-yl)-N-methylcarbamate
CID 133060158
2-[carboxymethyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetic acid
CID 70865153

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[[3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopropyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-[[3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopropyl]amino]acetyl]amino]acetic acid (CID 138694680) is 2-[methyl-[2-[[3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopropyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-[[3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopropyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-[[3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopropyl]amino]acetyl]amino]acetic acid is CN(CC(=O)O)C(=O)CNCC(=O)CN(C)C(=O)OCc1ccccc1.
What is the InChIKey of 2-[methyl-[2-[[3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopropyl]amino]acetyl]amino]acetic acid?
The InChIKey is YYAWAINTQKVYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O6/c1-19(11-16(23)24)15(22)9-18-8-14(21)10-20(2)17(25)26-12-13-6-4-3-5-7-13/h3-7,18H,8-12H2,1-2H3,(H,23,24).
What are the key properties of 2-[methyl-[2-[[3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopropyl]amino]acetyl]amino]acetic acid?
2-[methyl-[2-[[3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopropyl]amino]acetyl]amino]acetic acid has a molecular weight of 365.39 g/mol, XLogP of -0.04, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[[3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopropyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 138694680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).