3-[3-hydroxypropyl(propanoyl)amino]propanoic acid

C9H17NO4 — CID 82323236

IUPAC3-[3-hydroxypropyl(propanoyl)amino]propanoic acid
SMILESCCC(=O)N(CCCO)CCC(=O)O
InChIInChI=1S/C9H17NO4/c1-2-8(12)10(5-3-7-11)6-4-9(13)14/h11H,2-7H2,1H3,(H,13,14)
InChIKeyATVPNFNIUIYVAD-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.08
Rot. Bonds7

About 3-[3-hydroxypropyl(propanoyl)amino]propanoic acid

3-[3-hydroxypropyl(propanoyl)amino]propanoic acid (PubChem CID 82323236) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-[3-hydroxypropyl(propanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[3-hydroxypropyl(propanoyl)amino]propanoic acid
PubChem CID82323236
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name3-[3-hydroxypropyl(propanoyl)amino]propanoic acid
SMILESCCC(=O)N(CCCO)CCC(=O)O
InChIInChI=1S/C9H17NO4/c1-2-8(12)10(5-3-7-11)6-4-9(13)14/h11H,2-7H2,1H3,(H,13,14)
InChIKeyATVPNFNIUIYVAD-UHFFFAOYSA-N
XLogP0.08
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-hydroxypropyl(3-methylbutanoyl)amino]propanoic acid
CID 82324051
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl(propanoyl)amino]propyl]propanamide
CID 20740586
3-[2,2-dimethylpropanoyl(3-hydroxypropyl)amino]propanoic acid
CID 82323720
3-[decanoyl(2-hydroxyethyl)amino]propanoic acid
CID 132595707
3-[3-hydroxypropyl-[3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 82325805
6-[butanoyl(2-carboxyethyl)amino]hexanoic acid
CID 82323403
3-[3-hydroxypropyl-(2,2,2-trichloroacetyl)amino]propanoic acid
CID 82325919
3-[(2-cyclohexylacetyl)-(3-hydroxypropyl)amino]propanoic acid
CID 82326091
N,N-bis(3-hydroxypropyl)icosanamide
CID 102118836
sodium;3-[dodecanoyl(2-hydroxyethyl)amino]propanoic acid;hydride
CID 174049778
3-[2-carboxyethyl(propanoyl)amino]-2-methylpropanoic acid
CID 82323339
ethanol;2-[3-[2-hydroxyethyl(propanoyl)amino]propanoylamino]acetic acid;2-methylpropane
CID 163239020

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxypropyl(propanoyl)amino]propanoic acid?
The IUPAC name of 3-[3-hydroxypropyl(propanoyl)amino]propanoic acid (CID 82323236) is 3-[3-hydroxypropyl(propanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[3-hydroxypropyl(propanoyl)amino]propanoic acid?
The canonical SMILES for 3-[3-hydroxypropyl(propanoyl)amino]propanoic acid is CCC(=O)N(CCCO)CCC(=O)O.
What is the InChIKey of 3-[3-hydroxypropyl(propanoyl)amino]propanoic acid?
The InChIKey is ATVPNFNIUIYVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-2-8(12)10(5-3-7-11)6-4-9(13)14/h11H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-[3-hydroxypropyl(propanoyl)amino]propanoic acid?
3-[3-hydroxypropyl(propanoyl)amino]propanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxypropyl(propanoyl)amino]propanoic acid is sourced from PubChem (CID 82323236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).