(2R)-2-amino-3-(1,3-dioxolan-2-yl)-3-oxopropanal

C6H9NO4 — CID 129184948

IUPAC(2R)-2-amino-3-(1,3-dioxolan-2-yl)-3-oxopropanal
SMILESN[C@H](C=O)C(=O)C1OCCO1
InChIInChI=1S/C6H9NO4/c7-4(3-8)5(9)6-10-1-2-11-6/h3-4,6H,1-2,7H2/t4-/m1/s1
InChIKeyRAYMDRHYZBBFHN-SCSAIBSYSA-N
MW159.14 g/mol
LogP-1.55
Rot. Bonds3

About (2R)-2-amino-3-(1,3-dioxolan-2-yl)-3-oxopropanal

(2R)-2-amino-3-(1,3-dioxolan-2-yl)-3-oxopropanal (PubChem CID 129184948) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is (2R)-2-amino-3-(1,3-dioxolan-2-yl)-3-oxopropanal.

Molecular Properties

Compound Name(2R)-2-amino-3-(1,3-dioxolan-2-yl)-3-oxopropanal
PubChem CID129184948
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name(2R)-2-amino-3-(1,3-dioxolan-2-yl)-3-oxopropanal
SMILESN[C@H](C=O)C(=O)C1OCCO1
InChIInChI=1S/C6H9NO4/c7-4(3-8)5(9)6-10-1-2-11-6/h3-4,6H,1-2,7H2/t4-/m1/s1
InChIKeyRAYMDRHYZBBFHN-SCSAIBSYSA-N
XLogP-1.55
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-1.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-oxopropanamide
CID 57026177
2-amino-3-oxopropanoyl chloride
CID 56978521
N-methyl-1,3-dioxolane-2-carboxamide
CID 23534455
1-(1,3-dioxolan-2-yl)-2,2,2-trifluoroethanone
CID 45080734
methyl 1,3-dioxolane-2-carboxylate
CID 11815392
1-(1,3-dioxolan-2-yl)-1-oxoheptane-2-sulfonic acid
CID 175442096
1-(1,3-dioxolan-2-yl)-2-methylprop-2-en-1-one
CID 139881241
(2R)-2-amino-3-[4-(aminomethyl)piperidin-1-yl]-3-oxopropanal
CID 143709825
1,4-dioxane-2,3-dicarbaldehyde
CID 150021643
2-amino-2-[(3R)-3-methyloxolan-2-yl]acetaldehyde
CID 145378130
ethyl 3-(1,3-dioxolan-2-yl)-3-oxopropanoate
CID 21296434
6-bromo-1-(1,3-dioxolan-2-yl)hexa-3,5-dien-1-one
CID 57061331

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(1,3-dioxolan-2-yl)-3-oxopropanal?
The IUPAC name of (2R)-2-amino-3-(1,3-dioxolan-2-yl)-3-oxopropanal (CID 129184948) is (2R)-2-amino-3-(1,3-dioxolan-2-yl)-3-oxopropanal.
What is the SMILES notation for (2R)-2-amino-3-(1,3-dioxolan-2-yl)-3-oxopropanal?
The canonical SMILES for (2R)-2-amino-3-(1,3-dioxolan-2-yl)-3-oxopropanal is N[C@H](C=O)C(=O)C1OCCO1.
What is the InChIKey of (2R)-2-amino-3-(1,3-dioxolan-2-yl)-3-oxopropanal?
The InChIKey is RAYMDRHYZBBFHN-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9NO4/c7-4(3-8)5(9)6-10-1-2-11-6/h3-4,6H,1-2,7H2/t4-/m1/s1.
What are the key properties of (2R)-2-amino-3-(1,3-dioxolan-2-yl)-3-oxopropanal?
(2R)-2-amino-3-(1,3-dioxolan-2-yl)-3-oxopropanal has a molecular weight of 159.14 g/mol, XLogP of -1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(1,3-dioxolan-2-yl)-3-oxopropanal is sourced from PubChem (CID 129184948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).