2-(1,5-dihydroxypentan-3-ylideneamino)propanoic acid

C8H15NO4 — CID 140900044

IUPAC2-(1,5-dihydroxypentan-3-ylideneamino)propanoic acid
SMILESCC(N=C(CCO)CCO)C(=O)O
InChIInChI=1S/C8H15NO4/c1-6(8(12)13)9-7(2-4-10)3-5-11/h6,10-11H,2-5H2,1H3,(H,12,13)
InChIKeyGOBWCRUNFWMGAM-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.33
Rot. Bonds6

About 2-(1,5-dihydroxypentan-3-ylideneamino)propanoic acid

2-(1,5-dihydroxypentan-3-ylideneamino)propanoic acid (PubChem CID 140900044) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-(1,5-dihydroxypentan-3-ylideneamino)propanoic acid.

Molecular Properties

Compound Name2-(1,5-dihydroxypentan-3-ylideneamino)propanoic acid
PubChem CID140900044
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-(1,5-dihydroxypentan-3-ylideneamino)propanoic acid
SMILESCC(N=C(CCO)CCO)C(=O)O
InChIInChI=1S/C8H15NO4/c1-6(8(12)13)9-7(2-4-10)3-5-11/h6,10-11H,2-5H2,1H3,(H,12,13)
InChIKeyGOBWCRUNFWMGAM-UHFFFAOYSA-N
XLogP-0.33
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dihydroxypentan-3-ylideneamino)propanoic acid?
The IUPAC name of 2-(1,5-dihydroxypentan-3-ylideneamino)propanoic acid (CID 140900044) is 2-(1,5-dihydroxypentan-3-ylideneamino)propanoic acid.
What is the SMILES notation for 2-(1,5-dihydroxypentan-3-ylideneamino)propanoic acid?
The canonical SMILES for 2-(1,5-dihydroxypentan-3-ylideneamino)propanoic acid is CC(N=C(CCO)CCO)C(=O)O.
What is the InChIKey of 2-(1,5-dihydroxypentan-3-ylideneamino)propanoic acid?
The InChIKey is GOBWCRUNFWMGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-6(8(12)13)9-7(2-4-10)3-5-11/h6,10-11H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-(1,5-dihydroxypentan-3-ylideneamino)propanoic acid?
2-(1,5-dihydroxypentan-3-ylideneamino)propanoic acid has a molecular weight of 189.21 g/mol, XLogP of -0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dihydroxypentan-3-ylideneamino)propanoic acid is sourced from PubChem (CID 140900044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).