2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pentanoic acid

C11H22N2O3 — CID 83041705

IUPAC2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pentanoic acid
SMILESCCCNC(=O)CN(C)C(CCC)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-6-9(11(15)16)13(3)8-10(14)12-7-5-2/h9H,4-8H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyCYDLISAWGRZNEI-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.70
Rot. Bonds8

About 2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pentanoic acid

2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pentanoic acid (PubChem CID 83041705) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pentanoic acid
PubChem CID83041705
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pentanoic acid
SMILESCCCNC(=O)CN(C)C(CCC)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-6-9(11(15)16)13(3)8-10(14)12-7-5-2/h9H,4-8H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyCYDLISAWGRZNEI-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoic acid
CID 83042024
2-[[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]hexanoic acid
CID 61452543
2-[acetyl(propan-2-yl)amino]-N-propylacetamide
CID 113158097
ethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pentanoate
CID 82836304
2-[(1-amino-1-sulfanylidenepentan-3-yl)-methylamino]-N-propylacetamide
CID 61451371
3-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-methylpropanoic acid
CID 62852615
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
(2S)-3,3-dimethyl-2-[[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]butanoic acid
CID 61452367
4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid
CID 64890082
3-[methyl-[2-oxo-2-(propylamino)ethyl]amino]prop-2-enoic acid
CID 79897297
(2R)-2-[[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104910027
2-[acetyl(1-phenylethyl)amino]-N-propylacetamide
CID 113161938

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pentanoic acid?
The IUPAC name of 2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pentanoic acid (CID 83041705) is 2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pentanoic acid.
What is the SMILES notation for 2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pentanoic acid?
The canonical SMILES for 2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pentanoic acid is CCCNC(=O)CN(C)C(CCC)C(=O)O.
What is the InChIKey of 2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pentanoic acid?
The InChIKey is CYDLISAWGRZNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-6-9(11(15)16)13(3)8-10(14)12-7-5-2/h9H,4-8H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pentanoic acid?
2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pentanoic acid is sourced from PubChem (CID 83041705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).