4-amino-5-(2-methyl-6-propan-2-ylanilino)-5-oxopentanoic acid

C15H22N2O3 — CID 64895201

IUPAC4-amino-5-(2-methyl-6-propan-2-ylanilino)-5-oxopentanoic acid
SMILESCc1cccc(C(C)C)c1NC(=O)C(N)CCC(=O)O
InChIInChI=1S/C15H22N2O3/c1-9(2)11-6-4-5-10(3)14(11)17-15(20)12(16)7-8-13(18)19/h4-6,9,12H,7-8,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyXMUGNFJWXBLYHW-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.25
Rot. Bonds6

About 4-amino-5-(2-methyl-6-propan-2-ylanilino)-5-oxopentanoic acid

4-amino-5-(2-methyl-6-propan-2-ylanilino)-5-oxopentanoic acid (PubChem CID 64895201) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-amino-5-(2-methyl-6-propan-2-ylanilino)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-(2-methyl-6-propan-2-ylanilino)-5-oxopentanoic acid
PubChem CID64895201
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-amino-5-(2-methyl-6-propan-2-ylanilino)-5-oxopentanoic acid
SMILESCc1cccc(C(C)C)c1NC(=O)C(N)CCC(=O)O
InChIInChI=1S/C15H22N2O3/c1-9(2)11-6-4-5-10(3)14(11)17-15(20)12(16)7-8-13(18)19/h4-6,9,12H,7-8,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyXMUGNFJWXBLYHW-UHFFFAOYSA-N
XLogP2.25
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)hexanamide
CID 103830899
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-phenylacetamide
CID 22691784
3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 28510886
5-amino-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pentanamide
CID 112517030
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 3859248
3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 62727710
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
2-[methyl-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]amino]acetic acid
CID 43135784
3-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119911846
5-(2-ethyl-6-methylanilino)-4-methyl-5-oxopentanoic acid
CID 112517138
3-amino-N-(2-methyl-6-propan-2-ylphenyl)-3-sulfanylidenepropanamide
CID 28942450

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-methyl-6-propan-2-ylanilino)-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-(2-methyl-6-propan-2-ylanilino)-5-oxopentanoic acid (CID 64895201) is 4-amino-5-(2-methyl-6-propan-2-ylanilino)-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-(2-methyl-6-propan-2-ylanilino)-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-(2-methyl-6-propan-2-ylanilino)-5-oxopentanoic acid is Cc1cccc(C(C)C)c1NC(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-(2-methyl-6-propan-2-ylanilino)-5-oxopentanoic acid?
The InChIKey is XMUGNFJWXBLYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9(2)11-6-4-5-10(3)14(11)17-15(20)12(16)7-8-13(18)19/h4-6,9,12H,7-8,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-5-(2-methyl-6-propan-2-ylanilino)-5-oxopentanoic acid?
4-amino-5-(2-methyl-6-propan-2-ylanilino)-5-oxopentanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-methyl-6-propan-2-ylanilino)-5-oxopentanoic acid is sourced from PubChem (CID 64895201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).