(3R)-3-amino-4-cyclopropylbutanoic acid;hydrochloride

C7H14ClNO2 — CID 155904084

IUPAC(3R)-3-amino-4-cyclopropylbutanoic acid;hydrochloride
SMILESCl.N[C@@H](CC(=O)O)CC1CC1
InChIInChI=1S/C7H13NO2.ClH/c8-6(4-7(9)10)3-5-1-2-5;/h5-6H,1-4,8H2,(H,9,10);1H/t6-;/m1./s1
InChIKeyRTEIQUSMDHRJAR-FYZOBXCZSA-N
MW179.65 g/mol
LogP1.01
Rot. Bonds4

About (3R)-3-amino-4-cyclopropylbutanoic acid;hydrochloride

(3R)-3-amino-4-cyclopropylbutanoic acid;hydrochloride (PubChem CID 155904084) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is (3R)-3-amino-4-cyclopropylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-4-cyclopropylbutanoic acid;hydrochloride
PubChem CID155904084
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name(3R)-3-amino-4-cyclopropylbutanoic acid;hydrochloride
SMILESCl.N[C@@H](CC(=O)O)CC1CC1
InChIInChI=1S/C7H13NO2.ClH/c8-6(4-7(9)10)3-5-1-2-5;/h5-6H,1-4,8H2,(H,9,10);1H/t6-;/m1./s1
InChIKeyRTEIQUSMDHRJAR-FYZOBXCZSA-N
XLogP1.01
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-cyclopropylbutanoic acid;hydrochloride?
The IUPAC name of (3R)-3-amino-4-cyclopropylbutanoic acid;hydrochloride (CID 155904084) is (3R)-3-amino-4-cyclopropylbutanoic acid;hydrochloride.
What is the SMILES notation for (3R)-3-amino-4-cyclopropylbutanoic acid;hydrochloride?
The canonical SMILES for (3R)-3-amino-4-cyclopropylbutanoic acid;hydrochloride is Cl.N[C@@H](CC(=O)O)CC1CC1.
What is the InChIKey of (3R)-3-amino-4-cyclopropylbutanoic acid;hydrochloride?
The InChIKey is RTEIQUSMDHRJAR-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c8-6(4-7(9)10)3-5-1-2-5;/h5-6H,1-4,8H2,(H,9,10);1H/t6-;/m1./s1.
What are the key properties of (3R)-3-amino-4-cyclopropylbutanoic acid;hydrochloride?
(3R)-3-amino-4-cyclopropylbutanoic acid;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-cyclopropylbutanoic acid;hydrochloride is sourced from PubChem (CID 155904084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).