2-cyclopropyl-2-(methylamino)acetic acid;hydrochloride

C6H12ClNO2 — CID 146194288

IUPAC2-cyclopropyl-2-(methylamino)acetic acid;hydrochloride
SMILESCNC(C(=O)O)C1CC1.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-7-5(6(8)9)4-2-3-4;/h4-5,7H,2-3H2,1H3,(H,8,9);1H
InChIKeyYWWGQLIUIUHINF-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.49
Rot. Bonds3

About 2-cyclopropyl-2-(methylamino)acetic acid;hydrochloride

2-cyclopropyl-2-(methylamino)acetic acid;hydrochloride (PubChem CID 146194288) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)acetic acid;hydrochloride
PubChem CID146194288
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name2-cyclopropyl-2-(methylamino)acetic acid;hydrochloride
SMILESCNC(C(=O)O)C1CC1.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-7-5(6(8)9)4-2-3-4;/h4-5,7H,2-3H2,1H3,(H,8,9);1H
InChIKeyYWWGQLIUIUHINF-UHFFFAOYSA-N
XLogP0.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid
CID 83483250
2-cyclopropyl-2-[(4-propan-2-ylcyclohexyl)amino]acetic acid
CID 65061416
1-cyclobutyl-1-(methylamino)propan-2-one
CID 116955955
methyl 2-(4-hydroxycyclohexyl)-2-(methylamino)acetate
CID 58137906
2-cyclopropyl-2-(ethoxyamino)acetic acid
CID 103254508
2-(methylamino)-2-(1-propylpiperidin-3-yl)acetic acid
CID 83982898
2-cyclopropyl-2-(2,3-dimethylbutylamino)acetic acid
CID 103254407
2-(butanoylamino)-2-cyclopropylacetic acid
CID 62694942
2-[(2-amino-2-methylpropanoyl)amino]-2-cyclopropylacetic acid
CID 62696214
2-(butylamino)-2-cyclopropylacetic acid
CID 62696417
2-(tert-butylcarbamoylamino)-2-cyclopropylacetic acid
CID 62695953
(2R)-2-acetamido-2-cyclobutylacetic acid
CID 91654951

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)acetic acid;hydrochloride?
The IUPAC name of 2-cyclopropyl-2-(methylamino)acetic acid;hydrochloride (CID 146194288) is 2-cyclopropyl-2-(methylamino)acetic acid;hydrochloride.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)acetic acid;hydrochloride?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)acetic acid;hydrochloride is CNC(C(=O)O)C1CC1.Cl.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)acetic acid;hydrochloride?
The InChIKey is YWWGQLIUIUHINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c1-7-5(6(8)9)4-2-3-4;/h4-5,7H,2-3H2,1H3,(H,8,9);1H.
What are the key properties of 2-cyclopropyl-2-(methylamino)acetic acid;hydrochloride?
2-cyclopropyl-2-(methylamino)acetic acid;hydrochloride has a molecular weight of 165.62 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 2-cyclopropyl-2-(methylamino)acetic acid;hydrochloride is sourced from PubChem (CID 146194288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).