(2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride

C9H19ClN2O — CID 66951838

IUPAC(2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NC1CC1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-9(2,3)7(10)8(12)11-6-4-5-6;/h6-7H,4-5,10H2,1-3H3,(H,11,12);1H/t7-;/m1./s1
InChIKeyPQNGXOQTQUYCBJ-OGFXRTJISA-N
MW206.72 g/mol
LogP1.06
Rot. Bonds2

About (2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride

(2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride (PubChem CID 66951838) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride
PubChem CID66951838
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC Name(2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NC1CC1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-9(2,3)7(10)8(12)11-6-4-5-6;/h6-7H,4-5,10H2,1-3H3,(H,11,12);1H/t7-;/m1./s1
InChIKeyPQNGXOQTQUYCBJ-OGFXRTJISA-N
XLogP1.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-(4-methylcyclohexyl)butanamide;hydrochloride
CID 119779394
(2S)-2-amino-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide
CID 119812015
(2R)-2-amino-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylbutanamide
CID 112753369
(2S)-2-amino-3,3-dimethyl-N-(thian-4-yl)butanamide
CID 103810218
(2R)-2-amino-3,3-dimethyl-N-(1-oxothian-4-yl)butanamide
CID 104864652
N-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide
CID 68920493
(2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide
CID 103928588
ethyl 4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]cyclohexane-1-carboxylate;hydrochloride
CID 119738203
2-amino-3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 76887361
2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 76887363
(2R)-2-amino-3,3-dimethyl-N-(oxolan-3-yl)butanamide
CID 103930246
(2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide
CID 103063073

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride (CID 66951838) is (2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride is CC(C)(C)[C@H](N)C(=O)NC1CC1.Cl.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is PQNGXOQTQUYCBJ-OGFXRTJISA-N. The full InChI is InChI=1S/C9H18N2O.ClH/c1-9(2,3)7(10)8(12)11-6-4-5-6;/h6-7H,4-5,10H2,1-3H3,(H,11,12);1H/t7-;/m1./s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride?
(2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 206.72 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 66951838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).