2-hydroxy-2-(pentylideneamino)acetic acid

C7H13NO3 — CID 173173886

IUPAC2-hydroxy-2-(pentylideneamino)acetic acid
SMILESCCCCC=NC(O)C(=O)O
InChIInChI=1S/C7H13NO3/c1-2-3-4-5-8-6(9)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)
InChIKeyGTDXVXBLIHEKPL-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.65
Rot. Bonds5

About 2-hydroxy-2-(pentylideneamino)acetic acid

2-hydroxy-2-(pentylideneamino)acetic acid (PubChem CID 173173886) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-hydroxy-2-(pentylideneamino)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(pentylideneamino)acetic acid
PubChem CID173173886
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name2-hydroxy-2-(pentylideneamino)acetic acid
SMILESCCCCC=NC(O)C(=O)O
InChIInChI=1S/C7H13NO3/c1-2-3-4-5-8-6(9)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)
InChIKeyGTDXVXBLIHEKPL-UHFFFAOYSA-N
XLogP0.65
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pentylidenecarbamothioic S-acid
CID 91149541
methane;oct-3-en-2-one
CID 175702789
acetic acid;ethene;hex-1-ene
CID 174309563
(2S)-N-methyl-4-methylsulfanyl-2-(pentylideneamino)butanamide
CID 135143232
(E,2S)-2-aminooct-3-enoic acid
CID 134212552
N-[(E)-dec-1-enyl]acetamide
CID 87894534
hept-3-en-2-one;oct-3-en-2-one
CID 159843047
acetic acid;nonan-5-ol
CID 53445479
(2R)-2-hydroxyhexanoic acid
CID 6995511
2-(2-hydroxypropyl)hept-2-enoic acid
CID 87793618
(E)-3-hydroxynon-4-enoic acid
CID 55277354
(Z)-2,3-dimethylnon-4-enoic acid
CID 87090108

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(pentylideneamino)acetic acid?
The IUPAC name of 2-hydroxy-2-(pentylideneamino)acetic acid (CID 173173886) is 2-hydroxy-2-(pentylideneamino)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(pentylideneamino)acetic acid?
The canonical SMILES for 2-hydroxy-2-(pentylideneamino)acetic acid is CCCCC=NC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-(pentylideneamino)acetic acid?
The InChIKey is GTDXVXBLIHEKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-3-4-5-8-6(9)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11).
What are the key properties of 2-hydroxy-2-(pentylideneamino)acetic acid?
2-hydroxy-2-(pentylideneamino)acetic acid has a molecular weight of 159.19 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(pentylideneamino)acetic acid is sourced from PubChem (CID 173173886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).