2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride

C7H14ClNO3 — CID 75493650

IUPAC2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride
SMILESCOCC(NC1CC1)C(=O)O.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-11-4-6(7(9)10)8-5-2-3-5;/h5-6,8H,2-4H2,1H3,(H,9,10);1H
InChIKeyITIXXXOXSGFDCK-UHFFFAOYSA-N
MW195.65 g/mol
LogP0.26
Rot. Bonds5

About 2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride

2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride (PubChem CID 75493650) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride
PubChem CID75493650
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Name2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride
SMILESCOCC(NC1CC1)C(=O)O.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-11-4-6(7(9)10)8-5-2-3-5;/h5-6,8H,2-4H2,1H3,(H,9,10);1H
InChIKeyITIXXXOXSGFDCK-UHFFFAOYSA-N
XLogP0.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

2-[(1,1-dioxothian-4-yl)amino]-3-methoxypropanoic acid
CID 103239254
2-[(2,3-dimethylcyclopentyl)amino]-3-methoxypropanoic acid
CID 103254755
2-[(2,2-dimethylcyclopropyl)amino]-3-methoxypropanoic acid
CID 103244093
2-(cyclopentylamino)-3-methoxypropanamide
CID 115924491
2-[(2-hydroxycyclohexyl)amino]-3-methoxypropanoic acid
CID 103249834
2-(cyclohexylamino)-5-methoxypentanoic acid
CID 82932734
2-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)propanoic acid
CID 82956739
(2R)-2-(cyclopropylamino)-3-methylsulfanylpropanoic acid
CID 89492968
2-(cyclopropylamino)-3-(2-methylpentoxy)propanoic acid
CID 103284916
2-(cycloheptanecarbonylamino)-3-methoxypropanoic acid
CID 81077203
2-(1-cyclopentylethylamino)-3-methoxypropanoic acid
CID 103251911
2-(cyclopentylmethylamino)-3-methoxypropanoic acid
CID 103237734

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride?
The IUPAC name of 2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride (CID 75493650) is 2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride.
What is the SMILES notation for 2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride?
The canonical SMILES for 2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride is COCC(NC1CC1)C(=O)O.Cl.
What is the InChIKey of 2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride?
The InChIKey is ITIXXXOXSGFDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c1-11-4-6(7(9)10)8-5-2-3-5;/h5-6,8H,2-4H2,1H3,(H,9,10);1H.
What are the key properties of 2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride?
2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride is sourced from PubChem (CID 75493650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).