3-amino-2-chloro-2-hydroxypentanal

C5H10ClNO2 — CID 56609899

IUPAC3-amino-2-chloro-2-hydroxypentanal
SMILESCCC(N)C(O)(Cl)C=O
InChIInChI=1S/C5H10ClNO2/c1-2-4(7)5(6,9)3-8/h3-4,9H,2,7H2,1H3
InChIKeyYRYRMOWFVDMFFW-UHFFFAOYSA-N
MW151.59 g/mol
LogP-0.15
Rot. Bonds3

About 3-amino-2-chloro-2-hydroxypentanal

3-amino-2-chloro-2-hydroxypentanal (PubChem CID 56609899) has the molecular formula C5H10ClNO2 and a molecular weight of 151.59 g/mol. Its IUPAC name is 3-amino-2-chloro-2-hydroxypentanal.

Molecular Properties

Compound Name3-amino-2-chloro-2-hydroxypentanal
PubChem CID56609899
Molecular FormulaC5H10ClNO2
Molecular Weight151.59 g/mol
Exact Mass151.04
IUPAC Name3-amino-2-chloro-2-hydroxypentanal
SMILESCCC(N)C(O)(Cl)C=O
InChIInChI=1S/C5H10ClNO2/c1-2-4(7)5(6,9)3-8/h3-4,9H,2,7H2,1H3
InChIKeyYRYRMOWFVDMFFW-UHFFFAOYSA-N
XLogP-0.15
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.59
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-aminopentane-1,1,1,2,2-pentol
CID 90384532
(2S)-2-aminopropanoic acid;tris(2,2,2-trichloroacetaldehyde)
CID 173298655
(2S)-2-aminobutanoic acid;2,2,2-trifluoroacetaldehyde
CID 91416142
2,3-diamino-2-methylpentanoic acid
CID 174904940
2-(trichloromethyl)butanal
CID 11019634
2,2-dichloro-2-(ethylamino)acetaldehyde
CID 130010789
diethyl 2-chloro-2-formylpropanedioate
CID 13315764
ethyl carbamate;2,2,2-trichloroacetaldehyde
CID 87356795
2-chloro-2-hydroxyheptanal
CID 118105386
3-amino-2-(3-chloro-4-methylphenyl)-1,1,1-trifluoropentan-2-ol
CID 107560915
CID 169179164
CID 169179164
1-aminopropan-1-ol;N,N-dimethylmethanamine;formic acid
CID 174691520

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-2-hydroxypentanal?
The IUPAC name of 3-amino-2-chloro-2-hydroxypentanal (CID 56609899) is 3-amino-2-chloro-2-hydroxypentanal.
What is the SMILES notation for 3-amino-2-chloro-2-hydroxypentanal?
The canonical SMILES for 3-amino-2-chloro-2-hydroxypentanal is CCC(N)C(O)(Cl)C=O.
What is the InChIKey of 3-amino-2-chloro-2-hydroxypentanal?
The InChIKey is YRYRMOWFVDMFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO2/c1-2-4(7)5(6,9)3-8/h3-4,9H,2,7H2,1H3.
What are the key properties of 3-amino-2-chloro-2-hydroxypentanal?
3-amino-2-chloro-2-hydroxypentanal has a molecular weight of 151.59 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-2-hydroxypentanal is sourced from PubChem (CID 56609899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).