4-(ethylamino)-5-hydroxy-5-[4-(2-methylpropyl)phenyl]pentanoic acid

C17H27NO3 — CID 82349333

IUPAC4-(ethylamino)-5-hydroxy-5-[4-(2-methylpropyl)phenyl]pentanoic acid
SMILESCCNC(CCC(=O)O)C(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-4-18-15(9-10-16(19)20)17(21)14-7-5-13(6-8-14)11-12(2)3/h5-8,12,15,17-18,21H,4,9-11H2,1-3H3,(H,19,20)
InChIKeyYMMOPBACOXFSOB-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.76
Rot. Bonds9

About 4-(ethylamino)-5-hydroxy-5-[4-(2-methylpropyl)phenyl]pentanoic acid

4-(ethylamino)-5-hydroxy-5-[4-(2-methylpropyl)phenyl]pentanoic acid (PubChem CID 82349333) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-(ethylamino)-5-hydroxy-5-[4-(2-methylpropyl)phenyl]pentanoic acid.

Molecular Properties

Compound Name4-(ethylamino)-5-hydroxy-5-[4-(2-methylpropyl)phenyl]pentanoic acid
PubChem CID82349333
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name4-(ethylamino)-5-hydroxy-5-[4-(2-methylpropyl)phenyl]pentanoic acid
SMILESCCNC(CCC(=O)O)C(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-4-18-15(9-10-16(19)20)17(21)14-7-5-13(6-8-14)11-12(2)3/h5-8,12,15,17-18,21H,4,9-11H2,1-3H3,(H,19,20)
InChIKeyYMMOPBACOXFSOB-UHFFFAOYSA-N
XLogP2.76
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-ethylphenyl)-5-hydroxy-4-(propan-2-ylamino)pentanoic acid
CID 82347753
methyl 5-hydroxy-5-[4-(2-methylpropyl)phenyl]pentanoate
CID 82347165
3-(ethylamino)-4-hydroxy-4-(4-methylphenyl)butanoic acid
CID 82347443
5-(4-chlorophenyl)-5-hydroxy-4-(propan-2-ylamino)pentanoic acid
CID 82347917
(5S)-5-amino-5-[4-(2-methylpropyl)phenyl]pentanoic acid
CID 28931162
3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propanoic acid
CID 85049753
(2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid
CID 45117198
4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511992
5-(4-tert-butylphenyl)-5-hydroxy-4-(methylamino)pentanoic acid
CID 82348185
N-[3,4-dihydroxy-4-[4-(2-methylpropyl)phenyl]butyl]acetamide
CID 171883301
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
CID 166540473
3-[cyclopropyl-[1-[4-(2-methylpropyl)phenyl]ethyl]amino]propanoic acid
CID 65055124

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-5-hydroxy-5-[4-(2-methylpropyl)phenyl]pentanoic acid?
The IUPAC name of 4-(ethylamino)-5-hydroxy-5-[4-(2-methylpropyl)phenyl]pentanoic acid (CID 82349333) is 4-(ethylamino)-5-hydroxy-5-[4-(2-methylpropyl)phenyl]pentanoic acid.
What is the SMILES notation for 4-(ethylamino)-5-hydroxy-5-[4-(2-methylpropyl)phenyl]pentanoic acid?
The canonical SMILES for 4-(ethylamino)-5-hydroxy-5-[4-(2-methylpropyl)phenyl]pentanoic acid is CCNC(CCC(=O)O)C(O)c1ccc(CC(C)C)cc1.
What is the InChIKey of 4-(ethylamino)-5-hydroxy-5-[4-(2-methylpropyl)phenyl]pentanoic acid?
The InChIKey is YMMOPBACOXFSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-18-15(9-10-16(19)20)17(21)14-7-5-13(6-8-14)11-12(2)3/h5-8,12,15,17-18,21H,4,9-11H2,1-3H3,(H,19,20).
What are the key properties of 4-(ethylamino)-5-hydroxy-5-[4-(2-methylpropyl)phenyl]pentanoic acid?
4-(ethylamino)-5-hydroxy-5-[4-(2-methylpropyl)phenyl]pentanoic acid has a molecular weight of 293.41 g/mol, XLogP of 2.76, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-5-hydroxy-5-[4-(2-methylpropyl)phenyl]pentanoic acid is sourced from PubChem (CID 82349333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).