2-amino-N-(1,3-dihydroxypropyl)-3,3-dimethylbutanamide;hydrochloride

C9H21ClN2O3 — CID 87213066

IUPAC2-amino-N-(1,3-dihydroxypropyl)-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)C(N)C(=O)NC(O)CCO.Cl
InChIInChI=1S/C9H20N2O3.ClH/c1-9(2,3)7(10)8(14)11-6(13)4-5-12;/h6-7,12-13H,4-5,10H2,1-3H3,(H,11,14);1H
InChIKeyYUERPCGNNZEWLD-UHFFFAOYSA-N
MW240.73 g/mol
LogP-0.40
Rot. Bonds4

About 2-amino-N-(1,3-dihydroxypropyl)-3,3-dimethylbutanamide;hydrochloride

2-amino-N-(1,3-dihydroxypropyl)-3,3-dimethylbutanamide;hydrochloride (PubChem CID 87213066) has the molecular formula C9H21ClN2O3 and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-amino-N-(1,3-dihydroxypropyl)-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(1,3-dihydroxypropyl)-3,3-dimethylbutanamide;hydrochloride
PubChem CID87213066
Molecular FormulaC9H21ClN2O3
Molecular Weight240.73 g/mol
Exact Mass240.12
IUPAC Name2-amino-N-(1,3-dihydroxypropyl)-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)C(N)C(=O)NC(O)CCO.Cl
InChIInChI=1S/C9H20N2O3.ClH/c1-9(2,3)7(10)8(14)11-6(13)4-5-12;/h6-7,12-13H,4-5,10H2,1-3H3,(H,11,14);1H
InChIKeyYUERPCGNNZEWLD-UHFFFAOYSA-N
XLogP-0.40
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutanamide
CID 106349815
2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3,3-dimethylbutanamide
CID 106161090
(2S)-2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 79250278
(2S)-2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 104865654
(2R)-2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-hydroxypropanoic acid
CID 103930250
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride
CID 119817764
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3,3-dimethylbutanamide
CID 106188319
5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid
CID 103930433
2-amino-N,3,3-trimethylbutanamide;hydrochloride
CID 22129480
(2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-3,3-dimethylbutanamide
CID 106116615
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-4-methoxybutanoic acid
CID 62478300
2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide
CID 76904802

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-dihydroxypropyl)-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N-(1,3-dihydroxypropyl)-3,3-dimethylbutanamide;hydrochloride (CID 87213066) is 2-amino-N-(1,3-dihydroxypropyl)-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(1,3-dihydroxypropyl)-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(1,3-dihydroxypropyl)-3,3-dimethylbutanamide;hydrochloride is CC(C)(C)C(N)C(=O)NC(O)CCO.Cl.
What is the InChIKey of 2-amino-N-(1,3-dihydroxypropyl)-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is YUERPCGNNZEWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3.ClH/c1-9(2,3)7(10)8(14)11-6(13)4-5-12;/h6-7,12-13H,4-5,10H2,1-3H3,(H,11,14);1H.
What are the key properties of 2-amino-N-(1,3-dihydroxypropyl)-3,3-dimethylbutanamide;hydrochloride?
2-amino-N-(1,3-dihydroxypropyl)-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of -0.40, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-dihydroxypropyl)-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 87213066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).