2-(3-propan-2-yloxypropanoylamino)pentanoic acid

C11H21NO4 — CID 115923937

IUPAC2-(3-propan-2-yloxypropanoylamino)pentanoic acid
SMILESCCCC(NC(=O)CCOC(C)C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-4-5-9(11(14)15)12-10(13)6-7-16-8(2)3/h8-9H,4-7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyOKMHZSBNYFBDIO-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.17
Rot. Bonds8

About 2-(3-propan-2-yloxypropanoylamino)pentanoic acid

2-(3-propan-2-yloxypropanoylamino)pentanoic acid (PubChem CID 115923937) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(3-propan-2-yloxypropanoylamino)pentanoic acid.

Molecular Properties

Compound Name2-(3-propan-2-yloxypropanoylamino)pentanoic acid
PubChem CID115923937
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-(3-propan-2-yloxypropanoylamino)pentanoic acid
SMILESCCCC(NC(=O)CCOC(C)C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-4-5-9(11(14)15)12-10(13)6-7-16-8(2)3/h8-9H,4-7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyOKMHZSBNYFBDIO-UHFFFAOYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxypropanoylamino)pentanoic acid
CID 62589483
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid
CID 107562818
2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid
CID 89120164
(2S)-2-(4-ethoxybutanoylamino)pentanoic acid
CID 107564387
2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81058135
5-(1-carboxybutylamino)-2-(icosanoylamino)-5-oxopentanoic acid
CID 58954563
(2S)-2-[(2-propan-2-yloxyacetyl)amino]hexanoic acid
CID 107144537
(2S)-2-(3-propoxypropanoylamino)hexanoic acid
CID 94548934
(2R)-2-(4-aminobutanoylamino)pentanoic acid
CID 103869889
2-(3-methylsulfanylpropanoylamino)pentanoic acid
CID 43631087
(2S)-2-[3-(ethylamino)propanoylamino]pentanoic acid
CID 107565213

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yloxypropanoylamino)pentanoic acid?
The IUPAC name of 2-(3-propan-2-yloxypropanoylamino)pentanoic acid (CID 115923937) is 2-(3-propan-2-yloxypropanoylamino)pentanoic acid.
What is the SMILES notation for 2-(3-propan-2-yloxypropanoylamino)pentanoic acid?
The canonical SMILES for 2-(3-propan-2-yloxypropanoylamino)pentanoic acid is CCCC(NC(=O)CCOC(C)C)C(=O)O.
What is the InChIKey of 2-(3-propan-2-yloxypropanoylamino)pentanoic acid?
The InChIKey is OKMHZSBNYFBDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-5-9(11(14)15)12-10(13)6-7-16-8(2)3/h8-9H,4-7H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-(3-propan-2-yloxypropanoylamino)pentanoic acid?
2-(3-propan-2-yloxypropanoylamino)pentanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yloxypropanoylamino)pentanoic acid is sourced from PubChem (CID 115923937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).