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

C11H22N2O3 — CID 83042024

IUPAC2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoic acid
SMILESCCCC(C(=O)O)N(C)CC(=O)NC(C)C
InChIInChI=1S/C11H22N2O3/c1-5-6-9(11(15)16)13(4)7-10(14)12-8(2)3/h8-9H,5-7H2,1-4H3,(H,12,14)(H,15,16)
InChIKeyIUIODNANOAIYHB-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.70
Rot. Bonds7

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

2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoic acid (PubChem CID 83042024) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoic acid
PubChem CID83042024
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoic acid
SMILESCCCC(C(=O)O)N(C)CC(=O)NC(C)C
InChIInChI=1S/C11H22N2O3/c1-5-6-9(11(15)16)13(4)7-10(14)12-8(2)3/h8-9H,5-7H2,1-4H3,(H,12,14)(H,15,16)
InChIKeyIUIODNANOAIYHB-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-(propylamino)ethyl]amino]pentanoic acid
CID 83041705
2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 63585709
ethyl 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoate
CID 82841783
(2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1S)-1-phenylbutyl]propanamide
CID 8914313
2-[1-cyanoethyl(methyl)amino]-N-propan-2-ylacetamide
CID 60670289
(2S)-2-[[2-(dimethylamino)acetyl]amino]pentanoic acid
CID 107564391
ethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pentanoate
CID 82836304
(2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid
CID 78973916
(2R)-2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 93367275
2-[1-cyanobutan-2-yl(methyl)amino]-N-propan-2-ylacetamide
CID 55208590
(2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic acid
CID 79010051
(2R)-2-(diethylamino)pentanoic acid
CID 30030442

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoic acid?
The IUPAC name of 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoic acid (CID 83042024) is 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoic acid.
What is the SMILES notation for 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoic acid?
The canonical SMILES for 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoic acid is CCCC(C(=O)O)N(C)CC(=O)NC(C)C.
What is the InChIKey of 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoic acid?
The InChIKey is IUIODNANOAIYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-6-9(11(15)16)13(4)7-10(14)12-8(2)3/h8-9H,5-7H2,1-4H3,(H,12,14)(H,15,16).
What are the key properties of 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoic acid?
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.70, 7 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-(propan-2-ylamino)ethyl]amino]pentanoic acid is sourced from PubChem (CID 83042024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).