2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylpentanoic acid

C18H26N2O4 — CID 120516084

IUPAC2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylpentanoic acid
SMILESCC(=O)N(CCc1ccccc1)CC(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C18H26N2O4/c1-13(2)11-16(18(23)24)19-17(22)12-20(14(3)21)10-9-15-7-5-4-6-8-15/h4-8,13,16H,9-12H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyMKIGJWNDLDGNGT-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.69
Rot. Bonds9

About 2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylpentanoic acid

2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylpentanoic acid (PubChem CID 120516084) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylpentanoic acid
PubChem CID120516084
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylpentanoic acid
SMILESCC(=O)N(CCc1ccccc1)CC(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C18H26N2O4/c1-13(2)11-16(18(23)24)19-17(22)12-20(14(3)21)10-9-15-7-5-4-6-8-15/h4-8,13,16H,9-12H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyMKIGJWNDLDGNGT-UHFFFAOYSA-N
XLogP1.69
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]butanoic acid
CID 120523315
3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-2-methyl-3-phenylpropanoic acid
CID 120522235
2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-2-cyclopropylacetic acid
CID 120521212
3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-3-phenylpropanoic acid
CID 120512417
3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-3-(2-methylphenyl)propanoic acid
CID 120532109
(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-phenylacetyl)amino]pentanoyl]amino]pentanoic acid
CID 40551448
N-(4-acetamidophenyl)-2-[acetyl(2-phenylethyl)amino]acetamide
CID 113164087
(2S)-2-[[2-[hydroxy(4-phenylbutyl)phosphoryl]acetyl]amino]-4-methylpentanoic acid
CID 54482979
(2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 61155503
(2R)-4-methyl-2-(2-phenylethylcarbamoylamino)pentanoic acid
CID 78976234
2-[(2-benzylsulfanylacetyl)amino]-4-methylpentanoic acid
CID 43238546
(2R)-2-[(2-benzylsulfanylacetyl)amino]-4-methylpentanoic acid
CID 78975413

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylpentanoic acid (CID 120516084) is 2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylpentanoic acid is CC(=O)N(CCc1ccccc1)CC(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylpentanoic acid?
The InChIKey is MKIGJWNDLDGNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-13(2)11-16(18(23)24)19-17(22)12-20(14(3)21)10-9-15-7-5-4-6-8-15/h4-8,13,16H,9-12H2,1-3H3,(H,19,22)(H,23,24).
What are the key properties of 2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylpentanoic acid?
2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylpentanoic acid has a molecular weight of 334.42 g/mol, XLogP of 1.69, 9 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]-4-methylpentanoic acid is sourced from PubChem (CID 120516084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).