3-amino-4-hydroxypyrrolidine-1-carbaldehyde

C5H10N2O2 — CID 135165674

IUPAC3-amino-4-hydroxypyrrolidine-1-carbaldehyde
SMILESNC1CN(C=O)CC1O
InChIInChI=1S/C5H10N2O2/c6-4-1-7(3-8)2-5(4)9/h3-5,9H,1-2,6H2
InChIKeyPDXVDKUIHZFJSZ-UHFFFAOYSA-N
MW130.15 g/mol
LogP-1.85
Rot. Bonds1

About 3-amino-4-hydroxypyrrolidine-1-carbaldehyde

3-amino-4-hydroxypyrrolidine-1-carbaldehyde (PubChem CID 135165674) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 3-amino-4-hydroxypyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name3-amino-4-hydroxypyrrolidine-1-carbaldehyde
PubChem CID135165674
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name3-amino-4-hydroxypyrrolidine-1-carbaldehyde
SMILESNC1CN(C=O)CC1O
InChIInChI=1S/C5H10N2O2/c6-4-1-7(3-8)2-5(4)9/h3-5,9H,1-2,6H2
InChIKeyPDXVDKUIHZFJSZ-UHFFFAOYSA-N
XLogP-1.85
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-1.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylic acid
CID 69429414
3,4-difluoropyrrolidine-1-carbaldehyde
CID 87779291
3-hydroxypyrrolidine-1-carbaldehyde
CID 14456871
4-amino-1-(oxoboranylmethyl)pyrrolidin-3-ol
CID 20668569
4-amino-3-fluoropiperidine-1-carbaldehyde
CID 174684436
(3R,4R)-4-amino-1-tert-butylpyrrolidin-3-ol
CID 158152274
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbaldehyde
CID 91066084
3,4,5-trimethylpiperidine-1-carbaldehyde
CID 143533712
(2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde
CID 45083500
(2S,6R)-2,6-dimethylthiomorpholine-4-carbaldehyde
CID 154158068
(3R)-1-formylpyrrolidine-3-carboxylic acid
CID 90895028
4-formyl-2,6-dimethylpiperazine-1-carboximidamide
CID 139631126

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxypyrrolidine-1-carbaldehyde?
The IUPAC name of 3-amino-4-hydroxypyrrolidine-1-carbaldehyde (CID 135165674) is 3-amino-4-hydroxypyrrolidine-1-carbaldehyde.
What is the SMILES notation for 3-amino-4-hydroxypyrrolidine-1-carbaldehyde?
The canonical SMILES for 3-amino-4-hydroxypyrrolidine-1-carbaldehyde is NC1CN(C=O)CC1O.
What is the InChIKey of 3-amino-4-hydroxypyrrolidine-1-carbaldehyde?
The InChIKey is PDXVDKUIHZFJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c6-4-1-7(3-8)2-5(4)9/h3-5,9H,1-2,6H2.
What are the key properties of 3-amino-4-hydroxypyrrolidine-1-carbaldehyde?
3-amino-4-hydroxypyrrolidine-1-carbaldehyde has a molecular weight of 130.15 g/mol, XLogP of -1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxypyrrolidine-1-carbaldehyde is sourced from PubChem (CID 135165674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).