3-[3-(2-hydroxyethoxy)propylamino]-2-methyl-3-oxopropanoic acid

C9H17NO5 — CID 106307494

IUPAC3-[3-(2-hydroxyethoxy)propylamino]-2-methyl-3-oxopropanoic acid
SMILESCC(C(=O)O)C(=O)NCCCOCCO
InChIInChI=1S/C9H17NO5/c1-7(9(13)14)8(12)10-3-2-5-15-6-4-11/h7,11H,2-6H2,1H3,(H,10,12)(H,13,14)
InChIKeyKVAVTHRJRWQARL-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.78
Rot. Bonds8

About 3-[3-(2-hydroxyethoxy)propylamino]-2-methyl-3-oxopropanoic acid

3-[3-(2-hydroxyethoxy)propylamino]-2-methyl-3-oxopropanoic acid (PubChem CID 106307494) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-[3-(2-hydroxyethoxy)propylamino]-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[3-(2-hydroxyethoxy)propylamino]-2-methyl-3-oxopropanoic acid
PubChem CID106307494
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name3-[3-(2-hydroxyethoxy)propylamino]-2-methyl-3-oxopropanoic acid
SMILESCC(C(=O)O)C(=O)NCCCOCCO
InChIInChI=1S/C9H17NO5/c1-7(9(13)14)8(12)10-3-2-5-15-6-4-11/h7,11H,2-6H2,1H3,(H,10,12)(H,13,14)
InChIKeyKVAVTHRJRWQARL-UHFFFAOYSA-N
XLogP-0.78
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide
CID 106309578
2-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide
CID 106310631
3-amino-4-[3-(2-hydroxyethoxy)propylamino]-4-oxobutanoic acid
CID 106310522
(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 78973371
2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61275223
3-[3-(2-hydroxyethoxy)propylamino]-3-oxopropanoic acid
CID 104889411
2-(azepan-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide
CID 110024044
5-amino-N-[3-(2-hydroxyethoxy)propyl]-4-methylpentanamide
CID 106310722
3-(3-hydroxypropoxy)propylcarbamic acid
CID 155251053
(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide
CID 106310662
tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate
CID 170396361
(2R)-2-(3-propoxypropylcarbamoylamino)propanoic acid
CID 82943097

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-hydroxyethoxy)propylamino]-2-methyl-3-oxopropanoic acid?
The IUPAC name of 3-[3-(2-hydroxyethoxy)propylamino]-2-methyl-3-oxopropanoic acid (CID 106307494) is 3-[3-(2-hydroxyethoxy)propylamino]-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 3-[3-(2-hydroxyethoxy)propylamino]-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 3-[3-(2-hydroxyethoxy)propylamino]-2-methyl-3-oxopropanoic acid is CC(C(=O)O)C(=O)NCCCOCCO.
What is the InChIKey of 3-[3-(2-hydroxyethoxy)propylamino]-2-methyl-3-oxopropanoic acid?
The InChIKey is KVAVTHRJRWQARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c1-7(9(13)14)8(12)10-3-2-5-15-6-4-11/h7,11H,2-6H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 3-[3-(2-hydroxyethoxy)propylamino]-2-methyl-3-oxopropanoic acid?
3-[3-(2-hydroxyethoxy)propylamino]-2-methyl-3-oxopropanoic acid has a molecular weight of 219.24 g/mol, XLogP of -0.78, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-hydroxyethoxy)propylamino]-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 106307494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).