2-(1-methoxycyclopropyl)-2-(methylamino)acetic acid;hydrochloride

C7H14ClNO3 — CID 146194942

IUPAC2-(1-methoxycyclopropyl)-2-(methylamino)acetic acid;hydrochloride
SMILESCNC(C(=O)O)C1(OC)CC1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-8-5(6(9)10)7(11-2)3-4-7;/h5,8H,3-4H2,1-2H3,(H,9,10);1H
InChIKeyVCKKYHAEKGEMDX-UHFFFAOYSA-N
MW195.65 g/mol
LogP0.26
Rot. Bonds4

About 2-(1-methoxycyclopropyl)-2-(methylamino)acetic acid;hydrochloride

2-(1-methoxycyclopropyl)-2-(methylamino)acetic acid;hydrochloride (PubChem CID 146194942) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-(1-methoxycyclopropyl)-2-(methylamino)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(1-methoxycyclopropyl)-2-(methylamino)acetic acid;hydrochloride
PubChem CID146194942
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Name2-(1-methoxycyclopropyl)-2-(methylamino)acetic acid;hydrochloride
SMILESCNC(C(=O)O)C1(OC)CC1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-8-5(6(9)10)7(11-2)3-4-7;/h5,8H,3-4H2,1-2H3,(H,9,10);1H
InChIKeyVCKKYHAEKGEMDX-UHFFFAOYSA-N
XLogP0.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(1-methoxycyclopropyl)-2-(methylamino)acetate;hydrochloride
CID 175601721
(2S)-2-(methylamino)-2-(1-methylcyclohexyl)acetic acid;hydrochloride
CID 69433180
2-(methylamino)-2-(1-methylcyclopentyl)acetic acid
CID 130965432
2-amino-2-(1-methoxycyclobutyl)acetic acid
CID 119032100
2-hydroxy-2-(1-methoxycyclohexyl)acetic acid
CID 127019982
2-(1-adamantyl)-2-(methylamino)acetic acid
CID 11229817
1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylprop-2-en-1-amine
CID 116767764
dimethyl carbonate;ethane
CID 160632176
2-methylpropanoic acid;ruthenium
CID 88674751
2-(methylamino)-2-[3-(oxan-4-yl)oxetan-3-yl]acetic acid
CID 116875690
(2R)-2-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]propanoic acid
CID 120526982
dimethyl 2-(methylamino)propanedioate;ethane
CID 143043774

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopropyl)-2-(methylamino)acetic acid;hydrochloride?
The IUPAC name of 2-(1-methoxycyclopropyl)-2-(methylamino)acetic acid;hydrochloride (CID 146194942) is 2-(1-methoxycyclopropyl)-2-(methylamino)acetic acid;hydrochloride.
What is the SMILES notation for 2-(1-methoxycyclopropyl)-2-(methylamino)acetic acid;hydrochloride?
The canonical SMILES for 2-(1-methoxycyclopropyl)-2-(methylamino)acetic acid;hydrochloride is CNC(C(=O)O)C1(OC)CC1.Cl.
What is the InChIKey of 2-(1-methoxycyclopropyl)-2-(methylamino)acetic acid;hydrochloride?
The InChIKey is VCKKYHAEKGEMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c1-8-5(6(9)10)7(11-2)3-4-7;/h5,8H,3-4H2,1-2H3,(H,9,10);1H.
What are the key properties of 2-(1-methoxycyclopropyl)-2-(methylamino)acetic acid;hydrochloride?
2-(1-methoxycyclopropyl)-2-(methylamino)acetic acid;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopropyl)-2-(methylamino)acetic acid;hydrochloride is sourced from PubChem (CID 146194942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).