4-[[(1-hydroxy-4,4-dimethylpentan-2-yl)-methylcarbamoyl]amino]-5-phenylpentanoic acid

C20H32N2O4 — CID 122027449

IUPAC4-[[(1-hydroxy-4,4-dimethylpentan-2-yl)-methylcarbamoyl]amino]-5-phenylpentanoic acid
SMILESCN(C(=O)NC(CCC(=O)O)Cc1ccccc1)C(CO)CC(C)(C)C
InChIInChI=1S/C20H32N2O4/c1-20(2,3)13-17(14-23)22(4)19(26)21-16(10-11-18(24)25)12-15-8-6-5-7-9-15/h5-9,16-17,23H,10-14H2,1-4H3,(H,21,26)(H,24,25)
InChIKeyWVQNLWGYQHOPFP-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.90
Rot. Bonds9

About 4-[[(1-hydroxy-4,4-dimethylpentan-2-yl)-methylcarbamoyl]amino]-5-phenylpentanoic acid

4-[[(1-hydroxy-4,4-dimethylpentan-2-yl)-methylcarbamoyl]amino]-5-phenylpentanoic acid (PubChem CID 122027449) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-[[(1-hydroxy-4,4-dimethylpentan-2-yl)-methylcarbamoyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[(1-hydroxy-4,4-dimethylpentan-2-yl)-methylcarbamoyl]amino]-5-phenylpentanoic acid
PubChem CID122027449
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name4-[[(1-hydroxy-4,4-dimethylpentan-2-yl)-methylcarbamoyl]amino]-5-phenylpentanoic acid
SMILESCN(C(=O)NC(CCC(=O)O)Cc1ccccc1)C(CO)CC(C)(C)C
InChIInChI=1S/C20H32N2O4/c1-20(2,3)13-17(14-23)22(4)19(26)21-16(10-11-18(24)25)12-15-8-6-5-7-9-15/h5-9,16-17,23H,10-14H2,1-4H3,(H,21,26)(H,24,25)
InChIKeyWVQNLWGYQHOPFP-UHFFFAOYSA-N
XLogP2.90
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027271
4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027582
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
4-[[[3-(dimethylamino)phenyl]methyl-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027640
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027258
5-phenyl-4-(1,1,1-trifluoropentan-3-ylcarbamoylamino)pentanoic acid
CID 122009996
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122028421
4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027344
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[[butyl(ethyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027362
4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027203

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-hydroxy-4,4-dimethylpentan-2-yl)-methylcarbamoyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[(1-hydroxy-4,4-dimethylpentan-2-yl)-methylcarbamoyl]amino]-5-phenylpentanoic acid (CID 122027449) is 4-[[(1-hydroxy-4,4-dimethylpentan-2-yl)-methylcarbamoyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[(1-hydroxy-4,4-dimethylpentan-2-yl)-methylcarbamoyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[(1-hydroxy-4,4-dimethylpentan-2-yl)-methylcarbamoyl]amino]-5-phenylpentanoic acid is CN(C(=O)NC(CCC(=O)O)Cc1ccccc1)C(CO)CC(C)(C)C.
What is the InChIKey of 4-[[(1-hydroxy-4,4-dimethylpentan-2-yl)-methylcarbamoyl]amino]-5-phenylpentanoic acid?
The InChIKey is WVQNLWGYQHOPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-20(2,3)13-17(14-23)22(4)19(26)21-16(10-11-18(24)25)12-15-8-6-5-7-9-15/h5-9,16-17,23H,10-14H2,1-4H3,(H,21,26)(H,24,25).
What are the key properties of 4-[[(1-hydroxy-4,4-dimethylpentan-2-yl)-methylcarbamoyl]amino]-5-phenylpentanoic acid?
4-[[(1-hydroxy-4,4-dimethylpentan-2-yl)-methylcarbamoyl]amino]-5-phenylpentanoic acid has a molecular weight of 364.49 g/mol, XLogP of 2.90, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-hydroxy-4,4-dimethylpentan-2-yl)-methylcarbamoyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122027449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).