(3S)-N-[1-(dimethylamino)ethyl]-3,4-dihydroxybutanamide

C8H18N2O3 — CID 87957366

IUPAC(3S)-N-[1-(dimethylamino)ethyl]-3,4-dihydroxybutanamide
SMILESCC(NC(=O)C[C@H](O)CO)N(C)C
InChIInChI=1S/C8H18N2O3/c1-6(10(2)3)9-8(13)4-7(12)5-11/h6-7,11-12H,4-5H2,1-3H3,(H,9,13)/t6?,7-/m0/s1
InChIKeyJVFYIWGTZDQCCN-MLWJPKLSSA-N
MW190.24 g/mol
LogP-1.25
Rot. Bonds5

About (3S)-N-[1-(dimethylamino)ethyl]-3,4-dihydroxybutanamide

(3S)-N-[1-(dimethylamino)ethyl]-3,4-dihydroxybutanamide (PubChem CID 87957366) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is (3S)-N-[1-(dimethylamino)ethyl]-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name(3S)-N-[1-(dimethylamino)ethyl]-3,4-dihydroxybutanamide
PubChem CID87957366
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name(3S)-N-[1-(dimethylamino)ethyl]-3,4-dihydroxybutanamide
SMILESCC(NC(=O)C[C@H](O)CO)N(C)C
InChIInChI=1S/C8H18N2O3/c1-6(10(2)3)9-8(13)4-7(12)5-11/h6-7,11-12H,4-5H2,1-3H3,(H,9,13)/t6?,7-/m0/s1
InChIKeyJVFYIWGTZDQCCN-MLWJPKLSSA-N
XLogP-1.25
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(dimethylamino)ethyl]-3,4-dihydroxybutanamide?
The IUPAC name of (3S)-N-[1-(dimethylamino)ethyl]-3,4-dihydroxybutanamide (CID 87957366) is (3S)-N-[1-(dimethylamino)ethyl]-3,4-dihydroxybutanamide.
What is the SMILES notation for (3S)-N-[1-(dimethylamino)ethyl]-3,4-dihydroxybutanamide?
The canonical SMILES for (3S)-N-[1-(dimethylamino)ethyl]-3,4-dihydroxybutanamide is CC(NC(=O)C[C@H](O)CO)N(C)C.
What is the InChIKey of (3S)-N-[1-(dimethylamino)ethyl]-3,4-dihydroxybutanamide?
The InChIKey is JVFYIWGTZDQCCN-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-6(10(2)3)9-8(13)4-7(12)5-11/h6-7,11-12H,4-5H2,1-3H3,(H,9,13)/t6?,7-/m0/s1.
What are the key properties of (3S)-N-[1-(dimethylamino)ethyl]-3,4-dihydroxybutanamide?
(3S)-N-[1-(dimethylamino)ethyl]-3,4-dihydroxybutanamide has a molecular weight of 190.24 g/mol, XLogP of -1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-(dimethylamino)ethyl]-3,4-dihydroxybutanamide is sourced from PubChem (CID 87957366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).