(4R,5R)-N-(3-aminopropyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide

C10H20N2O4 — CID 11817129

IUPAC(4R,5R)-N-(3-aminopropyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide
SMILESCC1(C)O[C@H](CO)[C@H](C(=O)NCCCN)O1
InChIInChI=1S/C10H20N2O4/c1-10(2)15-7(6-13)8(16-10)9(14)12-5-3-4-11/h7-8,13H,3-6,11H2,1-2H3,(H,12,14)/t7-,8-/m1/s1
InChIKeyHASKRFWFNFHCKK-HTQZYQBOSA-N
MW232.28 g/mol
LogP-1.04
Rot. Bonds5

About (4R,5R)-N-(3-aminopropyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide

(4R,5R)-N-(3-aminopropyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide (PubChem CID 11817129) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (4R,5R)-N-(3-aminopropyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide.

Molecular Properties

Compound Name(4R,5R)-N-(3-aminopropyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide
PubChem CID11817129
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(4R,5R)-N-(3-aminopropyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide
SMILESCC1(C)O[C@H](CO)[C@H](C(=O)NCCCN)O1
InChIInChI=1S/C10H20N2O4/c1-10(2)15-7(6-13)8(16-10)9(14)12-5-3-4-11/h7-8,13H,3-6,11H2,1-2H3,(H,12,14)/t7-,8-/m1/s1
InChIKeyHASKRFWFNFHCKK-HTQZYQBOSA-N
XLogP-1.04
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-N-(3-aminopropyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide?
The IUPAC name of (4R,5R)-N-(3-aminopropyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide (CID 11817129) is (4R,5R)-N-(3-aminopropyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide.
What is the SMILES notation for (4R,5R)-N-(3-aminopropyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide?
The canonical SMILES for (4R,5R)-N-(3-aminopropyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide is CC1(C)O[C@H](CO)[C@H](C(=O)NCCCN)O1.
What is the InChIKey of (4R,5R)-N-(3-aminopropyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide?
The InChIKey is HASKRFWFNFHCKK-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-10(2)15-7(6-13)8(16-10)9(14)12-5-3-4-11/h7-8,13H,3-6,11H2,1-2H3,(H,12,14)/t7-,8-/m1/s1.
What are the key properties of (4R,5R)-N-(3-aminopropyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide?
(4R,5R)-N-(3-aminopropyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide has a molecular weight of 232.28 g/mol, XLogP of -1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-N-(3-aminopropyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide is sourced from PubChem (CID 11817129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).