N-(2,3-dihydroxypropyl)-4-(methylamino)butanamide

C8H18N2O3 — CID 66168913

IUPACN-(2,3-dihydroxypropyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC(O)CO
InChIInChI=1S/C8H18N2O3/c1-9-4-2-3-8(13)10-5-7(12)6-11/h7,9,11-12H,2-6H2,1H3,(H,10,13)
InChIKeyBPCABSBYTYCONS-UHFFFAOYSA-N
MW190.24 g/mol
LogP-1.54
Rot. Bonds7

About N-(2,3-dihydroxypropyl)-4-(methylamino)butanamide

N-(2,3-dihydroxypropyl)-4-(methylamino)butanamide (PubChem CID 66168913) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-4-(methylamino)butanamide
PubChem CID66168913
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC NameN-(2,3-dihydroxypropyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC(O)CO
InChIInChI=1S/C8H18N2O3/c1-9-4-2-3-8(13)10-5-7(12)6-11/h7,9,11-12H,2-6H2,1H3,(H,10,13)
InChIKeyBPCABSBYTYCONS-UHFFFAOYSA-N
XLogP-1.54
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 N-(2,3-dihydroxypropyl)-4-(methylamino)butanamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-4-(methylamino)butanamide (CID 66168913) is N-(2,3-dihydroxypropyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-4-(methylamino)butanamide is CNCCCC(=O)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-4-(methylamino)butanamide?
The InChIKey is BPCABSBYTYCONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-9-4-2-3-8(13)10-5-7(12)6-11/h7,9,11-12H,2-6H2,1H3,(H,10,13).
What are the key properties of N-(2,3-dihydroxypropyl)-4-(methylamino)butanamide?
N-(2,3-dihydroxypropyl)-4-(methylamino)butanamide has a molecular weight of 190.24 g/mol, XLogP of -1.54, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-4-(methylamino)butanamide is sourced from PubChem (CID 66168913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).