3-(3-hydroxypropanoylamino)propanoic acid

C6H11NO4 — CID 117126681

IUPAC3-(3-hydroxypropanoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)CCO
InChIInChI=1S/C6H11NO4/c8-4-2-5(9)7-3-1-6(10)11/h8H,1-4H2,(H,7,9)(H,10,11)
InChIKeyXCTDKEFZXRXFRU-UHFFFAOYSA-N
MW161.16 g/mol
LogP-1.04
Rot. Bonds5

About 3-(3-hydroxypropanoylamino)propanoic acid

3-(3-hydroxypropanoylamino)propanoic acid (PubChem CID 117126681) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-(3-hydroxypropanoylamino)propanoic acid.

Molecular Properties

Compound Name3-(3-hydroxypropanoylamino)propanoic acid
PubChem CID117126681
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name3-(3-hydroxypropanoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)CCO
InChIInChI=1S/C6H11NO4/c8-4-2-5(9)7-3-1-6(10)11/h8H,1-4H2,(H,7,9)(H,10,11)
InChIKeyXCTDKEFZXRXFRU-UHFFFAOYSA-N
XLogP-1.04
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-hydroxypropanoylamino)propanamide
CID 149237763
9-(2-hydroxyethylamino)-9-oxononanoic acid
CID 57483082
[3-(2-hydroxyethylamino)-3-oxopropyl]carbamic acid
CID 89354433
3-[[2-[[2-[[2-(hydroxymethylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 147190025
4-(6-hydroxyhexylamino)-4-oxobutanoic acid
CID 82675255
3-(docosanoylamino)propanoic acid
CID 45357432
3-(tetradecanoylamino)propanoic acid
CID 3662949
3-(dodecanoylamino)propanoic acid;zinc
CID 87141829
3-[[13-(butylamino)-13-oxotridecanoyl]amino]propanoic acid
CID 170549124
4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid
CID 3888239
3-hydroxy-N-pentylpropanamide
CID 94252202
3-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]propanoic acid
CID 43354849

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropanoylamino)propanoic acid?
The IUPAC name of 3-(3-hydroxypropanoylamino)propanoic acid (CID 117126681) is 3-(3-hydroxypropanoylamino)propanoic acid.
What is the SMILES notation for 3-(3-hydroxypropanoylamino)propanoic acid?
The canonical SMILES for 3-(3-hydroxypropanoylamino)propanoic acid is O=C(O)CCNC(=O)CCO.
What is the InChIKey of 3-(3-hydroxypropanoylamino)propanoic acid?
The InChIKey is XCTDKEFZXRXFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c8-4-2-5(9)7-3-1-6(10)11/h8H,1-4H2,(H,7,9)(H,10,11).
What are the key properties of 3-(3-hydroxypropanoylamino)propanoic acid?
3-(3-hydroxypropanoylamino)propanoic acid has a molecular weight of 161.16 g/mol, XLogP of -1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropanoylamino)propanoic acid is sourced from PubChem (CID 117126681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).