4-[(3-methyl-2-propan-2-ylbutyl)amino]-5-phenylpentanoic acid

C19H31NO2 — CID 122045784

IUPAC4-[(3-methyl-2-propan-2-ylbutyl)amino]-5-phenylpentanoic acid
SMILESCC(C)C(CNC(CCC(=O)O)Cc1ccccc1)C(C)C
InChIInChI=1S/C19H31NO2/c1-14(2)18(15(3)4)13-20-17(10-11-19(21)22)12-16-8-6-5-7-9-16/h5-9,14-15,17-18,20H,10-13H2,1-4H3,(H,21,22)
InChIKeyDQOVSHBVSOOHLE-UHFFFAOYSA-N
MW305.46 g/mol
LogP3.98
Rot. Bonds10

About 4-[(3-methyl-2-propan-2-ylbutyl)amino]-5-phenylpentanoic acid

4-[(3-methyl-2-propan-2-ylbutyl)amino]-5-phenylpentanoic acid (PubChem CID 122045784) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 4-[(3-methyl-2-propan-2-ylbutyl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(3-methyl-2-propan-2-ylbutyl)amino]-5-phenylpentanoic acid
PubChem CID122045784
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name4-[(3-methyl-2-propan-2-ylbutyl)amino]-5-phenylpentanoic acid
SMILESCC(C)C(CNC(CCC(=O)O)Cc1ccccc1)C(C)C
InChIInChI=1S/C19H31NO2/c1-14(2)18(15(3)4)13-20-17(10-11-19(21)22)12-16-8-6-5-7-9-16/h5-9,14-15,17-18,20H,10-13H2,1-4H3,(H,21,22)
InChIKeyDQOVSHBVSOOHLE-UHFFFAOYSA-N
XLogP3.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid
CID 122045966
4-(2-methylbutylamino)-5-phenylpentanoic acid
CID 122045900
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511992
5-phenyl-4-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid
CID 122045940
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[(4-bromophenyl)methylamino]-5-phenylpentanoic acid
CID 120512028
4-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027271
(4S)-4-methyl-5-phenylpentanoic acid
CID 6995676
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid
CID 120511981
4-[(2-methoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511898

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2-propan-2-ylbutyl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(3-methyl-2-propan-2-ylbutyl)amino]-5-phenylpentanoic acid (CID 122045784) is 4-[(3-methyl-2-propan-2-ylbutyl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(3-methyl-2-propan-2-ylbutyl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(3-methyl-2-propan-2-ylbutyl)amino]-5-phenylpentanoic acid is CC(C)C(CNC(CCC(=O)O)Cc1ccccc1)C(C)C.
What is the InChIKey of 4-[(3-methyl-2-propan-2-ylbutyl)amino]-5-phenylpentanoic acid?
The InChIKey is DQOVSHBVSOOHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-14(2)18(15(3)4)13-20-17(10-11-19(21)22)12-16-8-6-5-7-9-16/h5-9,14-15,17-18,20H,10-13H2,1-4H3,(H,21,22).
What are the key properties of 4-[(3-methyl-2-propan-2-ylbutyl)amino]-5-phenylpentanoic acid?
4-[(3-methyl-2-propan-2-ylbutyl)amino]-5-phenylpentanoic acid has a molecular weight of 305.46 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-2-propan-2-ylbutyl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122045784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).