2-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid

C15H22N2O3 — CID 43631787

IUPAC2-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)N(C)Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-3-7-13(15(19)20)16-10-14(18)17(2)11-12-8-5-4-6-9-12/h4-6,8-9,13,16H,3,7,10-11H2,1-2H3,(H,19,20)
InChIKeyFHVBALHAFMWXKV-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.49
Rot. Bonds8

About 2-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid

2-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid (PubChem CID 43631787) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid
PubChem CID43631787
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)N(C)Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-3-7-13(15(19)20)16-10-14(18)17(2)11-12-8-5-4-6-9-12/h4-6,8-9,13,16H,3,7,10-11H2,1-2H3,(H,19,20)
InChIKeyFHVBALHAFMWXKV-UHFFFAOYSA-N
XLogP1.49
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]pentanoic acid
CID 43631427
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CID 61183896
N-benzyl-N-methyl-3-(propylamino)propanamide
CID 109011497
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(2R)-2-(benzylamino)hexanoic acid
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N-benzyl-N-methyl-2-(2-methylanilino)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid (CID 43631787) is 2-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid is CCCC(NCC(=O)N(C)Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid?
The InChIKey is FHVBALHAFMWXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-7-13(15(19)20)16-10-14(18)17(2)11-12-8-5-4-6-9-12/h4-6,8-9,13,16H,3,7,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid?
2-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid is sourced from PubChem (CID 43631787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).