5-[[2-(dimethylamino)-3-ethylpentyl]amino]-5-oxopentanoic acid

C14H28N2O3 — CID 54867611

IUPAC5-[[2-(dimethylamino)-3-ethylpentyl]amino]-5-oxopentanoic acid
SMILESCCC(CC)C(CNC(=O)CCCC(=O)O)N(C)C
InChIInChI=1S/C14H28N2O3/c1-5-11(6-2)12(16(3)4)10-15-13(17)8-7-9-14(18)19/h11-12H,5-10H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyYYKRTEMBZDFUAA-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.72
Rot. Bonds10

About 5-[[2-(dimethylamino)-3-ethylpentyl]amino]-5-oxopentanoic acid

5-[[2-(dimethylamino)-3-ethylpentyl]amino]-5-oxopentanoic acid (PubChem CID 54867611) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)-3-ethylpentyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[2-(dimethylamino)-3-ethylpentyl]amino]-5-oxopentanoic acid
PubChem CID54867611
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name5-[[2-(dimethylamino)-3-ethylpentyl]amino]-5-oxopentanoic acid
SMILESCCC(CC)C(CNC(=O)CCCC(=O)O)N(C)C
InChIInChI=1S/C14H28N2O3/c1-5-11(6-2)12(16(3)4)10-15-13(17)8-7-9-14(18)19/h11-12H,5-10H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyYYKRTEMBZDFUAA-UHFFFAOYSA-N
XLogP1.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-3-ethylpentyl]-4-hydroxypentanamide
CID 79200682
5-(2-ethylhexylamino)-5-oxopentanoic acid
CID 4181990
N-[2-(dimethylamino)-3-ethylpentyl]-2-(2-methoxyethylamino)acetamide
CID 79280648
N-[2-(dimethylamino)-3-ethylpentyl]-3-piperidin-2-ylpropanamide
CID 62211126
N-(2-aminobutyl)-4-(dimethylamino)butanamide
CID 175578312
2-(1-aminocyclobutyl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide
CID 79854632
2-[[2-(dimethylamino)-3-ethylpentyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54867612
(2R)-2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-3-methylbutanamide
CID 79013169
6-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-6-oxohexanoic acid
CID 107214923
N-[2-(dimethylamino)-3-ethylpentyl]-2-piperidin-4-yloxyacetamide
CID 63875883
10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid
CID 51038800
5-[(2-tert-butyl-4,4-dimethylpentyl)amino]-5-oxopentanoic acid
CID 89215888

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)-3-ethylpentyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[2-(dimethylamino)-3-ethylpentyl]amino]-5-oxopentanoic acid (CID 54867611) is 5-[[2-(dimethylamino)-3-ethylpentyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[2-(dimethylamino)-3-ethylpentyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[2-(dimethylamino)-3-ethylpentyl]amino]-5-oxopentanoic acid is CCC(CC)C(CNC(=O)CCCC(=O)O)N(C)C.
What is the InChIKey of 5-[[2-(dimethylamino)-3-ethylpentyl]amino]-5-oxopentanoic acid?
The InChIKey is YYKRTEMBZDFUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-11(6-2)12(16(3)4)10-15-13(17)8-7-9-14(18)19/h11-12H,5-10H2,1-4H3,(H,15,17)(H,18,19).
What are the key properties of 5-[[2-(dimethylamino)-3-ethylpentyl]amino]-5-oxopentanoic acid?
5-[[2-(dimethylamino)-3-ethylpentyl]amino]-5-oxopentanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.72, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)-3-ethylpentyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 54867611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).