(2R)-2-amino-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride

C10H22ClN3O — CID 131207144

IUPAC(2R)-2-amino-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
SMILESCC[C@@H](N)C(=O)NC1CCNC(C)C1.Cl
InChIInChI=1S/C10H21N3O.ClH/c1-3-9(11)10(14)13-8-4-5-12-7(2)6-8;/h7-9,12H,3-6,11H2,1-2H3,(H,13,14);1H/t7?,8?,9-;/m1./s1
InChIKeySSUXTBUMKWLTNC-BTVWAASQSA-N
MW235.76 g/mol
LogP0.40
Rot. Bonds3

About (2R)-2-amino-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride

(2R)-2-amino-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride (PubChem CID 131207144) has the molecular formula C10H22ClN3O and a molecular weight of 235.76 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
PubChem CID131207144
Molecular FormulaC10H22ClN3O
Molecular Weight235.76 g/mol
Exact Mass235.15
IUPAC Name(2R)-2-amino-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
SMILESCC[C@@H](N)C(=O)NC1CCNC(C)C1.Cl
InChIInChI=1S/C10H21N3O.ClH/c1-3-9(11)10(14)13-8-4-5-12-7(2)6-8;/h7-9,12H,3-6,11H2,1-2H3,(H,13,14);1H/t7?,8?,9-;/m1./s1
InChIKeySSUXTBUMKWLTNC-BTVWAASQSA-N
XLogP0.40
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid
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N-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride
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[(2R,4R)-2-methylpiperidin-4-yl]carbamic acid
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(2R)-2-amino-N-(2-methylpiperidin-3-yl)butanamide
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(2S)-2-amino-N-(thian-4-yl)butanamide;hydrochloride
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(2R)-2-amino-N-piperidin-3-ylbutanamide
CID 131134417
2-cyclobutyl-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120599149
1-(2-methylpiperidin-4-yl)-3-propan-2-ylurea
CID 106995611
N-(2-methylpiperidin-4-yl)hexanamide
CID 106995560
3-methyl-N-(2-methylpiperidin-4-yl)hexanamide
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CID 120601589

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride (CID 131207144) is (2R)-2-amino-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride is CC[C@@H](N)C(=O)NC1CCNC(C)C1.Cl.
What is the InChIKey of (2R)-2-amino-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride?
The InChIKey is SSUXTBUMKWLTNC-BTVWAASQSA-N. The full InChI is InChI=1S/C10H21N3O.ClH/c1-3-9(11)10(14)13-8-4-5-12-7(2)6-8;/h7-9,12H,3-6,11H2,1-2H3,(H,13,14);1H/t7?,8?,9-;/m1./s1.
What are the key properties of (2R)-2-amino-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride?
(2R)-2-amino-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride has a molecular weight of 235.76 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride is sourced from PubChem (CID 131207144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).