2-(3-amino-2-hydroxypropyl)cyclopropane-1-carboxylic acid;hydrochloride

C7H14ClNO3 — CID 166410338

IUPAC2-(3-amino-2-hydroxypropyl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.NCC(O)CC1CC1C(=O)O
InChIInChI=1S/C7H13NO3.ClH/c8-3-5(9)1-4-2-6(4)7(10)11;/h4-6,9H,1-3,8H2,(H,10,11);1H
InChIKeyRXULLDPECYCGGI-UHFFFAOYSA-N
MW195.65 g/mol
LogP-0.16
Rot. Bonds4

About 2-(3-amino-2-hydroxypropyl)cyclopropane-1-carboxylic acid;hydrochloride

2-(3-amino-2-hydroxypropyl)cyclopropane-1-carboxylic acid;hydrochloride (PubChem CID 166410338) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-(3-amino-2-hydroxypropyl)cyclopropane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(3-amino-2-hydroxypropyl)cyclopropane-1-carboxylic acid;hydrochloride
PubChem CID166410338
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Name2-(3-amino-2-hydroxypropyl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.NCC(O)CC1CC1C(=O)O
InChIInChI=1S/C7H13NO3.ClH/c8-3-5(9)1-4-2-6(4)7(10)11;/h4-6,9H,1-3,8H2,(H,10,11);1H
InChIKeyRXULLDPECYCGGI-UHFFFAOYSA-N
XLogP-0.16
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-hydroxypropyl)cyclopropane-1-carboxylic acid;hydrochloride?
The IUPAC name of 2-(3-amino-2-hydroxypropyl)cyclopropane-1-carboxylic acid;hydrochloride (CID 166410338) is 2-(3-amino-2-hydroxypropyl)cyclopropane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(3-amino-2-hydroxypropyl)cyclopropane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(3-amino-2-hydroxypropyl)cyclopropane-1-carboxylic acid;hydrochloride is Cl.NCC(O)CC1CC1C(=O)O.
What is the InChIKey of 2-(3-amino-2-hydroxypropyl)cyclopropane-1-carboxylic acid;hydrochloride?
The InChIKey is RXULLDPECYCGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c8-3-5(9)1-4-2-6(4)7(10)11;/h4-6,9H,1-3,8H2,(H,10,11);1H.
What are the key properties of 2-(3-amino-2-hydroxypropyl)cyclopropane-1-carboxylic acid;hydrochloride?
2-(3-amino-2-hydroxypropyl)cyclopropane-1-carboxylic acid;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-hydroxypropyl)cyclopropane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 166410338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).