3-hydroxy-2-(3-propoxypropylcarbamoylamino)butanoic acid

C11H22N2O5 — CID 82943538

IUPAC3-hydroxy-2-(3-propoxypropylcarbamoylamino)butanoic acid
SMILESCCCOCCCNC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C11H22N2O5/c1-3-6-18-7-4-5-12-11(17)13-9(8(2)14)10(15)16/h8-9,14H,3-7H2,1-2H3,(H,15,16)(H2,12,13,17)
InChIKeyISOCABOQHOEDLH-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.06
Rot. Bonds9

About 3-hydroxy-2-(3-propoxypropylcarbamoylamino)butanoic acid

3-hydroxy-2-(3-propoxypropylcarbamoylamino)butanoic acid (PubChem CID 82943538) has the molecular formula C11H22N2O5 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-hydroxy-2-(3-propoxypropylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(3-propoxypropylcarbamoylamino)butanoic acid
PubChem CID82943538
Molecular FormulaC11H22N2O5
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Name3-hydroxy-2-(3-propoxypropylcarbamoylamino)butanoic acid
SMILESCCCOCCCNC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C11H22N2O5/c1-3-6-18-7-4-5-12-11(17)13-9(8(2)14)10(15)16/h8-9,14H,3-7H2,1-2H3,(H,15,16)(H2,12,13,17)
InChIKeyISOCABOQHOEDLH-UHFFFAOYSA-N
XLogP-0.06
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(3-propoxypropylcarbamoylamino)propanoic acid
CID 82943097
(2S,3R)-3-hydroxy-2-(3-methoxypropylcarbamoylamino)butanoic acid
CID 104965839
(2S,3R)-3-hydroxy-2-(pentylcarbamoylamino)butanoic acid
CID 104965712
3-methyl-2-(2-propoxyethylcarbamoylamino)butanoic acid
CID 106450974
3-(3-butoxypropylcarbamoylamino)-2-methylbutanoic acid
CID 113481173
2-hydroxy-3-(3-propoxypropylcarbamoylamino)propanoic acid
CID 82943732
(2S)-2-(3-propoxypropylcarbamoylamino)pentanedioic acid
CID 82944278
2-[(4-ethoxy-4-oxobutyl)carbamoylamino]-3-hydroxybutanoic acid
CID 64575086
5-amino-5-oxo-2-(3-propoxypropylcarbamoylamino)pentanoic acid
CID 82943639
(2S,3R)-3-hydroxy-2-(3-methylsulfonylpropylcarbamoylamino)butanoic acid
CID 104966114
2-(2-acetamidoethylcarbamoylamino)-3-hydroxybutanoic acid
CID 61202444
2-(2-aminoethylcarbamoylamino)-3-hydroxybutanoic acid
CID 61403091

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(3-propoxypropylcarbamoylamino)butanoic acid?
The IUPAC name of 3-hydroxy-2-(3-propoxypropylcarbamoylamino)butanoic acid (CID 82943538) is 3-hydroxy-2-(3-propoxypropylcarbamoylamino)butanoic acid.
What is the SMILES notation for 3-hydroxy-2-(3-propoxypropylcarbamoylamino)butanoic acid?
The canonical SMILES for 3-hydroxy-2-(3-propoxypropylcarbamoylamino)butanoic acid is CCCOCCCNC(=O)NC(C(=O)O)C(C)O.
What is the InChIKey of 3-hydroxy-2-(3-propoxypropylcarbamoylamino)butanoic acid?
The InChIKey is ISOCABOQHOEDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5/c1-3-6-18-7-4-5-12-11(17)13-9(8(2)14)10(15)16/h8-9,14H,3-7H2,1-2H3,(H,15,16)(H2,12,13,17).
What are the key properties of 3-hydroxy-2-(3-propoxypropylcarbamoylamino)butanoic acid?
3-hydroxy-2-(3-propoxypropylcarbamoylamino)butanoic acid has a molecular weight of 262.31 g/mol, XLogP of -0.06, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(3-propoxypropylcarbamoylamino)butanoic acid is sourced from PubChem (CID 82943538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).