2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-2-cyclopropylacetic acid

C17H22N2O4 — CID 120521212

IUPAC2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-2-cyclopropylacetic acid
SMILESCC(=O)N(CCc1ccccc1)CC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C17H22N2O4/c1-12(20)19(10-9-13-5-3-2-4-6-13)11-15(21)18-16(17(22)23)14-7-8-14/h2-6,14,16H,7-11H2,1H3,(H,18,21)(H,22,23)
InChIKeyXEVHUJHKNIJQCV-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.06
Rot. Bonds8

About 2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-2-cyclopropylacetic acid

2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-2-cyclopropylacetic acid (PubChem CID 120521212) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-2-cyclopropylacetic acid
PubChem CID120521212
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-2-cyclopropylacetic acid
SMILESCC(=O)N(CCc1ccccc1)CC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C17H22N2O4/c1-12(20)19(10-9-13-5-3-2-4-6-13)11-15(21)18-16(17(22)23)14-7-8-14/h2-6,14,16H,7-11H2,1H3,(H,18,21)(H,22,23)
InChIKeyXEVHUJHKNIJQCV-UHFFFAOYSA-N
XLogP1.06
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]butanoic acid
CID 120523315
2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120516084
3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-2-methyl-3-phenylpropanoic acid
CID 120522235
3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-3-phenylpropanoic acid
CID 120512417
4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120524552
3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-3-(2-methylphenyl)propanoic acid
CID 120532109
N-(4-acetamidophenyl)-2-[acetyl(2-phenylethyl)amino]acetamide
CID 113164087
1-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 120530042
2-cyclopropyl-2-(4-phenylbutan-2-ylcarbamoylamino)acetic acid
CID 62711751
2-[acetyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113163958
2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid
CID 62696020
2-[2-aminoethyl(2-phenylethyl)amino]-N-(dicyclopropylmethyl)acetamide;hydrochloride
CID 120871709

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-2-cyclopropylacetic acid (CID 120521212) is 2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-2-cyclopropylacetic acid is CC(=O)N(CCc1ccccc1)CC(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-2-cyclopropylacetic acid?
The InChIKey is XEVHUJHKNIJQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-12(20)19(10-9-13-5-3-2-4-6-13)11-15(21)18-16(17(22)23)14-7-8-14/h2-6,14,16H,7-11H2,1H3,(H,18,21)(H,22,23).
What are the key properties of 2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-2-cyclopropylacetic acid?
2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-2-cyclopropylacetic acid has a molecular weight of 318.37 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 120521212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).