N-(2,3-dihydroxypropyl)-2-methoxypropanamide

C7H15NO4 — CID 115749574

IUPACN-(2,3-dihydroxypropyl)-2-methoxypropanamide
SMILESCOC(C)C(=O)NCC(O)CO
InChIInChI=1S/C7H15NO4/c1-5(12-2)7(11)8-3-6(10)4-9/h5-6,9-10H,3-4H2,1-2H3,(H,8,11)
InChIKeyMNTCYWCVKMQLJH-UHFFFAOYSA-N
MW177.20 g/mol
LogP-1.51
Rot. Bonds5

About N-(2,3-dihydroxypropyl)-2-methoxypropanamide

N-(2,3-dihydroxypropyl)-2-methoxypropanamide (PubChem CID 115749574) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-methoxypropanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-methoxypropanamide
PubChem CID115749574
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC NameN-(2,3-dihydroxypropyl)-2-methoxypropanamide
SMILESCOC(C)C(=O)NCC(O)CO
InChIInChI=1S/C7H15NO4/c1-5(12-2)7(11)8-3-6(10)4-9/h5-6,9-10H,3-4H2,1-2H3,(H,8,11)
InChIKeyMNTCYWCVKMQLJH-UHFFFAOYSA-N
XLogP-1.51
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2-methylpropyl)-2-methoxypropanamide
CID 115701678
N-[(2S)-3-(ethylamino)-2-hydroxypropyl]-2-methoxypropanamide
CID 90248771
(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide
CID 65440271
N-(2,3-dihydroxypropyl)-2-hydroxybutanamide
CID 90334941
N-(3-hydroxypentyl)-2-methoxypropanamide
CID 115703372
N-[(2R)-2,3-dihydroxypropyl]-3-methyl-2-oxobutanamide
CID 134194631
N-[(2R)-2,3-dihydroxypropyl]propanamide
CID 88953699
[(2R)-2,3-dihydroxypropyl]urea
CID 88558789
4-[(2-hydroxy-3-methoxypropyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498512
tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
3-acetamido-N-(2,3-dihydroxypropyl)propanamide
CID 66177308
[1-[2-(2-methoxypropanoylamino)ethylamino]-1-oxopropan-2-yl] acetate
CID 59722273

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-methoxypropanamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-methoxypropanamide (CID 115749574) is N-(2,3-dihydroxypropyl)-2-methoxypropanamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-methoxypropanamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-methoxypropanamide is COC(C)C(=O)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-methoxypropanamide?
The InChIKey is MNTCYWCVKMQLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-5(12-2)7(11)8-3-6(10)4-9/h5-6,9-10H,3-4H2,1-2H3,(H,8,11).
What are the key properties of N-(2,3-dihydroxypropyl)-2-methoxypropanamide?
N-(2,3-dihydroxypropyl)-2-methoxypropanamide has a molecular weight of 177.20 g/mol, XLogP of -1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-methoxypropanamide is sourced from PubChem (CID 115749574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).