4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid

C19H30N2O3 — CID 122027203

IUPAC4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid
SMILESCCCN(CC(C)C)C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C19H30N2O3/c1-4-12-21(14-15(2)3)19(24)20-17(10-11-18(22)23)13-16-8-6-5-7-9-16/h5-9,15,17H,4,10-14H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyRBAHTPXHVHBLOT-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.54
Rot. Bonds10

About 4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid

4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid (PubChem CID 122027203) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid
PubChem CID122027203
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid
SMILESCCCN(CC(C)C)C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C19H30N2O3/c1-4-12-21(14-15(2)3)19(24)20-17(10-11-18(22)23)13-16-8-6-5-7-9-16/h5-9,15,17H,4,10-14H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyRBAHTPXHVHBLOT-UHFFFAOYSA-N
XLogP3.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027258
4-[[butyl(ethyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027362
4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027582
4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027679
4-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027271
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027367
4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid
CID 120547298
4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic acid
CID 122028172
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-(2-methylbutylamino)-5-phenylpentanoic acid
CID 122045900

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid (CID 122027203) is 4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid is CCCN(CC(C)C)C(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid?
The InChIKey is RBAHTPXHVHBLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-4-12-21(14-15(2)3)19(24)20-17(10-11-18(22)23)13-16-8-6-5-7-9-16/h5-9,15,17H,4,10-14H2,1-3H3,(H,20,24)(H,22,23).
What are the key properties of 4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid?
4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid has a molecular weight of 334.46 g/mol, XLogP of 3.54, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122027203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).