2-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]pentanoic acid

C16H24N2O3 — CID 43632015

IUPAC2-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)Nc1cccc(C(C)C)c1)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-4-6-14(16(20)21)17-10-15(19)18-13-8-5-7-12(9-13)11(2)3/h5,7-9,11,14,17H,4,6,10H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyMVVSWPOEPKQXDS-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.59
Rot. Bonds8

About 2-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]pentanoic acid

2-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]pentanoic acid (PubChem CID 43632015) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]pentanoic acid
PubChem CID43632015
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)Nc1cccc(C(C)C)c1)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-4-6-14(16(20)21)17-10-15(19)18-13-8-5-7-12(9-13)11(2)3/h5,7-9,11,14,17H,4,6,10H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyMVVSWPOEPKQXDS-UHFFFAOYSA-N
XLogP2.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-3-(3-propan-2-ylanilino)propanoic acid
CID 62230571
2-[[2-(4-chloroanilino)-2-oxoethyl]amino]pentanoic acid
CID 43631680
4-oxo-4-(3-propan-2-ylanilino)butanoic acid
CID 43396404
2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]amino]pentanoic acid
CID 43631877
3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 21491914
N-(3-methylphenyl)-2-(pentan-2-ylamino)acetamide
CID 43179547
2-amino-N-(3-propan-2-ylphenyl)pentanamide
CID 43650216
2-ethylsulfonyl-N-(3-propan-2-ylphenyl)acetamide
CID 47207398
2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]amino]pentanoic acid
CID 43631468
3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 61196687
2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467219
3-amino-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 43123771

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]pentanoic acid (CID 43632015) is 2-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]pentanoic acid is CCCC(NCC(=O)Nc1cccc(C(C)C)c1)C(=O)O.
What is the InChIKey of 2-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]pentanoic acid?
The InChIKey is MVVSWPOEPKQXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-6-14(16(20)21)17-10-15(19)18-13-8-5-7-12(9-13)11(2)3/h5,7-9,11,14,17H,4,6,10H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]pentanoic acid?
2-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]pentanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.59, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]pentanoic acid is sourced from PubChem (CID 43632015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).