2-amino-N-(1,3-dihydroxypropan-2-yloxy)propanamide

C6H14N2O4 — CID 163415035

IUPAC2-amino-N-(1,3-dihydroxypropan-2-yloxy)propanamide
SMILESCC(N)C(=O)NOC(CO)CO
InChIInChI=1S/C6H14N2O4/c1-4(7)6(11)8-12-5(2-9)3-10/h4-5,9-10H,2-3,7H2,1H3,(H,8,11)
InChIKeyADQXDWWRQTWXRG-UHFFFAOYSA-N
MW178.19 g/mol
LogP-2.27
Rot. Bonds5

About 2-amino-N-(1,3-dihydroxypropan-2-yloxy)propanamide

2-amino-N-(1,3-dihydroxypropan-2-yloxy)propanamide (PubChem CID 163415035) has the molecular formula C6H14N2O4 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-amino-N-(1,3-dihydroxypropan-2-yloxy)propanamide.

Molecular Properties

Compound Name2-amino-N-(1,3-dihydroxypropan-2-yloxy)propanamide
PubChem CID163415035
Molecular FormulaC6H14N2O4
Molecular Weight178.19 g/mol
Exact Mass178.10
IUPAC Name2-amino-N-(1,3-dihydroxypropan-2-yloxy)propanamide
SMILESCC(N)C(=O)NOC(CO)CO
InChIInChI=1S/C6H14N2O4/c1-4(7)6(11)8-12-5(2-9)3-10/h4-5,9-10H,2-3,7H2,1H3,(H,8,11)
InChIKeyADQXDWWRQTWXRG-UHFFFAOYSA-N
XLogP-2.27
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-2.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 107219144
2-amino-N-(2-methylpropoxy)propanamide
CID 82721936
(2-aminopropanoylamino) propanoate
CID 146291069
tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)oxycarbamate
CID 105492969
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61245278
2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247041
2-amino-N-(2-methylprop-2-enoxy)propanamide
CID 131226983
2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61275223
(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 78973371
(2R)-2-amino-N-(5-hydroxy-4-methylpentyl)propanamide
CID 106161371
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-dihydroxypropan-2-yloxy)propanamide?
The IUPAC name of 2-amino-N-(1,3-dihydroxypropan-2-yloxy)propanamide (CID 163415035) is 2-amino-N-(1,3-dihydroxypropan-2-yloxy)propanamide.
What is the SMILES notation for 2-amino-N-(1,3-dihydroxypropan-2-yloxy)propanamide?
The canonical SMILES for 2-amino-N-(1,3-dihydroxypropan-2-yloxy)propanamide is CC(N)C(=O)NOC(CO)CO.
What is the InChIKey of 2-amino-N-(1,3-dihydroxypropan-2-yloxy)propanamide?
The InChIKey is ADQXDWWRQTWXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4/c1-4(7)6(11)8-12-5(2-9)3-10/h4-5,9-10H,2-3,7H2,1H3,(H,8,11).
What are the key properties of 2-amino-N-(1,3-dihydroxypropan-2-yloxy)propanamide?
2-amino-N-(1,3-dihydroxypropan-2-yloxy)propanamide has a molecular weight of 178.19 g/mol, XLogP of -2.27, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-dihydroxypropan-2-yloxy)propanamide is sourced from PubChem (CID 163415035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).