(3R)-3-(methylamino)butanoic acid;hydrochloride

C5H12ClNO2 — CID 146082386

IUPAC(3R)-3-(methylamino)butanoic acid;hydrochloride
SMILESCN[C@H](C)CC(=O)O.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-4(6-2)3-5(7)8;/h4,6H,3H2,1-2H3,(H,7,8);1H/t4-;/m1./s1
InChIKeyIDYRLRYWPQNZMO-PGMHMLKASA-N
MW153.61 g/mol
LogP0.49
Rot. Bonds3

About (3R)-3-(methylamino)butanoic acid;hydrochloride

(3R)-3-(methylamino)butanoic acid;hydrochloride (PubChem CID 146082386) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is (3R)-3-(methylamino)butanoic acid;hydrochloride.

Molecular Properties

Compound Name(3R)-3-(methylamino)butanoic acid;hydrochloride
PubChem CID146082386
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name(3R)-3-(methylamino)butanoic acid;hydrochloride
SMILESCN[C@H](C)CC(=O)O.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-4(6-2)3-5(7)8;/h4,6H,3H2,1-2H3,(H,7,8);1H/t4-;/m1./s1
InChIKeyIDYRLRYWPQNZMO-PGMHMLKASA-N
XLogP0.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-4-methyl-3-(methylamino)pentanoic acid;hydrochloride
CID 87833179
(3S)-4-methyl-3-(methylamino)pentanoic acid
CID 90425684
methane;3-(methylamino)butanoate
CID 159407582
CID 90459779
CID 90459779
(3R)-4,4-dimethyl-3-(methylamino)pentanoic acid;hydrochloride
CID 170900105
3-[[(2R)-2-aminopropanoyl]amino]butanoic acid
CID 78973363
3-[2-(methylamino)propylsulfanylmethyl]-4-oxopentanoic acid
CID 21340895
3-methylbutanoic acid
CID 20849036
3-amino-4-(1-carboxypropan-2-ylamino)-4-oxobutanoic acid
CID 64895941
3-(3-aminobutanoylamino)butanoic acid
CID 61160048
3-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 61160050
(3S)-3-aminobutanoic acid;hydrochloride
CID 2761505

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methylamino)butanoic acid;hydrochloride?
The IUPAC name of (3R)-3-(methylamino)butanoic acid;hydrochloride (CID 146082386) is (3R)-3-(methylamino)butanoic acid;hydrochloride.
What is the SMILES notation for (3R)-3-(methylamino)butanoic acid;hydrochloride?
The canonical SMILES for (3R)-3-(methylamino)butanoic acid;hydrochloride is CN[C@H](C)CC(=O)O.Cl.
What is the InChIKey of (3R)-3-(methylamino)butanoic acid;hydrochloride?
The InChIKey is IDYRLRYWPQNZMO-PGMHMLKASA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-4(6-2)3-5(7)8;/h4,6H,3H2,1-2H3,(H,7,8);1H/t4-;/m1./s1.
What are the key properties of (3R)-3-(methylamino)butanoic acid;hydrochloride?
(3R)-3-(methylamino)butanoic acid;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methylamino)butanoic acid;hydrochloride is sourced from PubChem (CID 146082386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).