(2S)-2-(4-ethoxybutanoylamino)pentanoic acid

C11H21NO4 — CID 107564387

IUPAC(2S)-2-(4-ethoxybutanoylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)CCCOCC)C(=O)O
InChIInChI=1S/C11H21NO4/c1-3-6-9(11(14)15)12-10(13)7-5-8-16-4-2/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15)/t9-/m0/s1
InChIKeyGNNNAIBADSPOQI-VIFPVBQESA-N
MW231.29 g/mol
LogP1.17
Rot. Bonds9

About (2S)-2-(4-ethoxybutanoylamino)pentanoic acid

(2S)-2-(4-ethoxybutanoylamino)pentanoic acid (PubChem CID 107564387) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is (2S)-2-(4-ethoxybutanoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-ethoxybutanoylamino)pentanoic acid
PubChem CID107564387
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name(2S)-2-(4-ethoxybutanoylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)CCCOCC)C(=O)O
InChIInChI=1S/C11H21NO4/c1-3-6-9(11(14)15)12-10(13)7-5-8-16-4-2/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15)/t9-/m0/s1
InChIKeyGNNNAIBADSPOQI-VIFPVBQESA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-ethoxybutanoylamino)-5-methoxy-5-oxopentanoic acid
CID 107820770
18-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-7-ethoxy-4-oxoheptyl]amino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 158135994
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
2-(3-methoxypropanoylamino)pentanoic acid
CID 62589483
(2R)-2-(4-aminobutanoylamino)pentanoic acid
CID 103869889
2-(3-ethoxypropanoylamino)-4-methoxybutanoic acid
CID 62589911
5-(1-carboxybutylamino)-2-(icosanoylamino)-5-oxopentanoic acid
CID 58954563
(2S)-2-(5-aminopentanoylamino)pentanoic acid
CID 103869799
(2S)-5-amino-2-(3-ethoxypropanoylamino)-5-oxopentanoic acid
CID 62591193
18-[[(1S)-1-carboxy-4-oxo-7-propoxyheptyl]amino]-18-oxooctadecanoic acid
CID 157375427
5-[2-(2-ethoxyethoxy)ethylamino]-2-(nonanoylamino)-5-oxopentanoic acid
CID 170413527
2-(3-propan-2-yloxypropanoylamino)pentanoic acid
CID 115923937

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethoxybutanoylamino)pentanoic acid?
The IUPAC name of (2S)-2-(4-ethoxybutanoylamino)pentanoic acid (CID 107564387) is (2S)-2-(4-ethoxybutanoylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(4-ethoxybutanoylamino)pentanoic acid?
The canonical SMILES for (2S)-2-(4-ethoxybutanoylamino)pentanoic acid is CCC[C@H](NC(=O)CCCOCC)C(=O)O.
What is the InChIKey of (2S)-2-(4-ethoxybutanoylamino)pentanoic acid?
The InChIKey is GNNNAIBADSPOQI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21NO4/c1-3-6-9(11(14)15)12-10(13)7-5-8-16-4-2/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-(4-ethoxybutanoylamino)pentanoic acid?
(2S)-2-(4-ethoxybutanoylamino)pentanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.17, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethoxybutanoylamino)pentanoic acid is sourced from PubChem (CID 107564387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).