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

C18H28N2O3 — CID 122027258

IUPAC4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid
SMILESCCN(CC(C)C)C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C18H28N2O3/c1-4-20(13-14(2)3)18(23)19-16(10-11-17(21)22)12-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyRUJHGRGSYKDHQN-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.15
Rot. Bonds9

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

4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid (PubChem CID 122027258) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid
PubChem CID122027258
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid
SMILESCCN(CC(C)C)C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C18H28N2O3/c1-4-20(13-14(2)3)18(23)19-16(10-11-17(21)22)12-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyRUJHGRGSYKDHQN-UHFFFAOYSA-N
XLogP3.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027203
4-[[butyl(ethyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027362
4-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027367
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-[(1-methyltriazol-4-yl)methyl]carbamoyl]amino]-5-phenylpentanoic acid
CID 122028164
4-[(2-methylsulfanylacetyl)amino]-5-phenylpentanoic acid
CID 120546684
4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic acid
CID 122028172
4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid
CID 120547298
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid (CID 122027258) is 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid is CCN(CC(C)C)C(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid?
The InChIKey is RUJHGRGSYKDHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-20(13-14(2)3)18(23)19-16(10-11-17(21)22)12-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3,(H,19,23)(H,21,22).
What are the key properties of 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid?
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid has a molecular weight of 320.43 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122027258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).