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

C10H20N2O5 — CID 82943732

IUPAC2-hydroxy-3-(3-propoxypropylcarbamoylamino)propanoic acid
SMILESCCCOCCCNC(=O)NCC(O)C(=O)O
InChIInChI=1S/C10H20N2O5/c1-2-5-17-6-3-4-11-10(16)12-7-8(13)9(14)15/h8,13H,2-7H2,1H3,(H,14,15)(H2,11,12,16)
InChIKeyDMLJHHQETXHLJC-UHFFFAOYSA-N
MW248.28 g/mol
LogP-0.45
Rot. Bonds9

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

2-hydroxy-3-(3-propoxypropylcarbamoylamino)propanoic acid (PubChem CID 82943732) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-hydroxy-3-(3-propoxypropylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(3-propoxypropylcarbamoylamino)propanoic acid
PubChem CID82943732
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name2-hydroxy-3-(3-propoxypropylcarbamoylamino)propanoic acid
SMILESCCCOCCCNC(=O)NCC(O)C(=O)O
InChIInChI=1S/C10H20N2O5/c1-2-5-17-6-3-4-11-10(16)12-7-8(13)9(14)15/h8,13H,2-7H2,1H3,(H,14,15)(H2,11,12,16)
InChIKeyDMLJHHQETXHLJC-UHFFFAOYSA-N
XLogP-0.45
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.45
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

(2S)-2-hydroxy-3-[4-(2-methoxyethoxy)butylcarbamoylamino]propanoic acid
CID 107841009
(2S)-2-hydroxy-3-(4-methoxybutylcarbamoylamino)propanoic acid
CID 107839392
(2R)-2-(3-propoxypropylcarbamoylamino)propanoic acid
CID 82943097
3-hydroxy-2-(3-propoxypropylcarbamoylamino)butanoic acid
CID 82943538
(3S)-5-methyl-3-[(3-propoxypropylcarbamoylamino)methyl]hexanoic acid
CID 82941576
2-hydroxy-3-(4-methylpentylcarbamoylamino)propanoic acid
CID 66166957
2-[[2-(3-propoxypropylcarbamoylamino)acetyl]amino]acetic acid
CID 82943515
(2S)-2-hydroxy-3-(3-phenoxypropylcarbamoylamino)propanoic acid
CID 107839669
(2S)-2-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]propanoic acid
CID 106039229
(2S)-2-(3-propoxypropylcarbamoylamino)pentanedioic acid
CID 82944278
(2S)-2-hydroxy-3-(3-methylsulfonylpropylcarbamoylamino)propanoic acid
CID 107839386
1-(3-propoxypropyl)-3-(2,2,2-trifluoroethyl)urea
CID 116657251

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(3-propoxypropylcarbamoylamino)propanoic acid?
The IUPAC name of 2-hydroxy-3-(3-propoxypropylcarbamoylamino)propanoic acid (CID 82943732) is 2-hydroxy-3-(3-propoxypropylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(3-propoxypropylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(3-propoxypropylcarbamoylamino)propanoic acid is CCCOCCCNC(=O)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-(3-propoxypropylcarbamoylamino)propanoic acid?
The InChIKey is DMLJHHQETXHLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5/c1-2-5-17-6-3-4-11-10(16)12-7-8(13)9(14)15/h8,13H,2-7H2,1H3,(H,14,15)(H2,11,12,16).
What are the key properties of 2-hydroxy-3-(3-propoxypropylcarbamoylamino)propanoic acid?
2-hydroxy-3-(3-propoxypropylcarbamoylamino)propanoic acid has a molecular weight of 248.28 g/mol, XLogP of -0.45, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(3-propoxypropylcarbamoylamino)propanoic acid is sourced from PubChem (CID 82943732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).