3-amino-N-(2-hydroxy-3-methoxypropyl)-2,2-dimethylpropanamide

C9H20N2O3 — CID 115426751

IUPAC3-amino-N-(2-hydroxy-3-methoxypropyl)-2,2-dimethylpropanamide
SMILESCOCC(O)CNC(=O)C(C)(C)CN
InChIInChI=1S/C9H20N2O3/c1-9(2,6-10)8(13)11-4-7(12)5-14-3/h7,12H,4-6,10H2,1-3H3,(H,11,13)
InChIKeyOJZKNJWEJHGCSI-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.91
Rot. Bonds6

About 3-amino-N-(2-hydroxy-3-methoxypropyl)-2,2-dimethylpropanamide

3-amino-N-(2-hydroxy-3-methoxypropyl)-2,2-dimethylpropanamide (PubChem CID 115426751) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-3-methoxypropyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-3-methoxypropyl)-2,2-dimethylpropanamide
PubChem CID115426751
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name3-amino-N-(2-hydroxy-3-methoxypropyl)-2,2-dimethylpropanamide
SMILESCOCC(O)CNC(=O)C(C)(C)CN
InChIInChI=1S/C9H20N2O3/c1-9(2,6-10)8(13)11-4-7(12)5-14-3/h7,12H,4-6,10H2,1-3H3,(H,11,13)
InChIKeyOJZKNJWEJHGCSI-UHFFFAOYSA-N
XLogP-0.91
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide
CID 79811130
methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]-2-hydroxypropanoate
CID 107222678
2-(4-aminophenyl)-N-(2-hydroxy-3-methoxypropyl)-2-methylpropanamide
CID 80556294
2-(aminomethyl)-N-(3-hydroxy-4-methoxybutyl)-2-methylbutanamide
CID 106247571
(2R)-2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methylbutanamide
CID 79012762
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethylpropanamide
CID 103809518
N-(2-hydroxy-3-methoxypropyl)butanamide
CID 20700886
methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]propanoate
CID 81489476
3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide
CID 104580249
3-amino-2,2-dimethyl-N-(3-propan-2-yloxypropyl)propanamide
CID 81484725
5-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methylpentanoic acid
CID 82688450
(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)pentanamide
CID 107569812

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-3-methoxypropyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(2-hydroxy-3-methoxypropyl)-2,2-dimethylpropanamide (CID 115426751) is 3-amino-N-(2-hydroxy-3-methoxypropyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-3-methoxypropyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-3-methoxypropyl)-2,2-dimethylpropanamide is COCC(O)CNC(=O)C(C)(C)CN.
What is the InChIKey of 3-amino-N-(2-hydroxy-3-methoxypropyl)-2,2-dimethylpropanamide?
The InChIKey is OJZKNJWEJHGCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-9(2,6-10)8(13)11-4-7(12)5-14-3/h7,12H,4-6,10H2,1-3H3,(H,11,13).
What are the key properties of 3-amino-N-(2-hydroxy-3-methoxypropyl)-2,2-dimethylpropanamide?
3-amino-N-(2-hydroxy-3-methoxypropyl)-2,2-dimethylpropanamide has a molecular weight of 204.27 g/mol, XLogP of -0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-3-methoxypropyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 115426751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).