4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid

C18H26N2O3 — CID 122028421

IUPAC4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid
SMILESCN(CC1CCC1)C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C18H26N2O3/c1-20(13-15-8-5-9-15)18(23)19-16(10-11-17(21)22)12-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3,(H,19,23)(H,21,22)
InChIKeyGBSJYKNBUVIYFD-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.90
Rot. Bonds8

About 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid

4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid (PubChem CID 122028421) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid
PubChem CID122028421
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid
SMILESCN(CC1CCC1)C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C18H26N2O3/c1-20(13-15-8-5-9-15)18(23)19-16(10-11-17(21)22)12-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3,(H,19,23)(H,21,22)
InChIKeyGBSJYKNBUVIYFD-UHFFFAOYSA-N
XLogP2.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[methyl-[2-(oxan-4-yl)ethyl]carbamoyl]amino]-5-phenylpentanoic acid
CID 122027689
4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027582
4-[[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027220
4-[[[(1R,2R)-2-hydroxycyclohexyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122028067
4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid
CID 120546889
4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122027588
4-[[(4-cyanophenyl)methyl-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027296
4-[[[3-(dimethylamino)phenyl]methyl-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027640
4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027344
4-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027271
4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122001001
4-[[methyl(pent-4-enyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122028340

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid (CID 122028421) is 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid is CN(CC1CCC1)C(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid?
The InChIKey is GBSJYKNBUVIYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-20(13-15-8-5-9-15)18(23)19-16(10-11-17(21)22)12-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid?
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid has a molecular weight of 318.42 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122028421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).