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

C8H15NO5 — CID 104889411

IUPAC3-[3-(2-hydroxyethoxy)propylamino]-3-oxopropanoic acid
SMILESO=C(O)CC(=O)NCCCOCCO
InChIInChI=1S/C8H15NO5/c10-3-5-14-4-1-2-9-7(11)6-8(12)13/h10H,1-6H2,(H,9,11)(H,12,13)
InChIKeyFSXFVXAWBFJVAK-UHFFFAOYSA-N
MW205.21 g/mol
LogP-1.02
Rot. Bonds8

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

3-[3-(2-hydroxyethoxy)propylamino]-3-oxopropanoic acid (PubChem CID 104889411) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-[3-(2-hydroxyethoxy)propylamino]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[3-(2-hydroxyethoxy)propylamino]-3-oxopropanoic acid
PubChem CID104889411
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name3-[3-(2-hydroxyethoxy)propylamino]-3-oxopropanoic acid
SMILESO=C(O)CC(=O)NCCCOCCO
InChIInChI=1S/C8H15NO5/c10-3-5-14-4-1-2-9-7(11)6-8(12)13/h10H,1-6H2,(H,9,11)(H,12,13)
InChIKeyFSXFVXAWBFJVAK-UHFFFAOYSA-N
XLogP-1.02
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-1.02
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

3-(3-ethoxypropylamino)-3-oxopropanoic acid
CID 62232046
2-[1-[2-[3-(2-hydroxyethoxy)propylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 106305125
7-amino-N-[3-(2-hydroxyethoxy)propyl]heptanamide
CID 106310658
2-(cyclopropylmethylamino)-N-[3-(2-hydroxyethoxy)propyl]acetamide
CID 106310701
3-(3-hydroxypropoxy)propylcarbamic acid
CID 155251053
5-[3-[2-[2-[3-(4-carboxybutanoylamino)propoxy]ethoxy]ethoxy]propylamino]-5-oxopentanoic acid
CID 89212622
5-[[2-(2-hydroxyethoxy)acetyl]amino]pentanoic acid
CID 141090456
3-[3-(2-hydroxyethoxy)propylamino]-2-methyl-3-oxopropanoic acid
CID 106307494
3-amino-4-[3-(2-hydroxyethoxy)propylamino]-4-oxobutanoic acid
CID 106310522
2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methoxypropyl)acetamide
CID 106309953
N-[3-(2-hydroxyethoxy)propyl]prop-2-enamide
CID 106305722
2-bromo-N-[3-[2-[2-[3-[(2-bromoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]acetamide
CID 164805844

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-hydroxyethoxy)propylamino]-3-oxopropanoic acid?
The IUPAC name of 3-[3-(2-hydroxyethoxy)propylamino]-3-oxopropanoic acid (CID 104889411) is 3-[3-(2-hydroxyethoxy)propylamino]-3-oxopropanoic acid.
What is the SMILES notation for 3-[3-(2-hydroxyethoxy)propylamino]-3-oxopropanoic acid?
The canonical SMILES for 3-[3-(2-hydroxyethoxy)propylamino]-3-oxopropanoic acid is O=C(O)CC(=O)NCCCOCCO.
What is the InChIKey of 3-[3-(2-hydroxyethoxy)propylamino]-3-oxopropanoic acid?
The InChIKey is FSXFVXAWBFJVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c10-3-5-14-4-1-2-9-7(11)6-8(12)13/h10H,1-6H2,(H,9,11)(H,12,13).
What are the key properties of 3-[3-(2-hydroxyethoxy)propylamino]-3-oxopropanoic acid?
3-[3-(2-hydroxyethoxy)propylamino]-3-oxopropanoic acid has a molecular weight of 205.21 g/mol, XLogP of -1.02, 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]-3-oxopropanoic acid is sourced from PubChem (CID 104889411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).