(3S)-3-amino-3-pyrimidin-5-ylpropanoic acid;hydrochloride

C7H10ClN3O2 — CID 155289986

IUPAC(3S)-3-amino-3-pyrimidin-5-ylpropanoic acid;hydrochloride
SMILESCl.N[C@@H](CC(=O)O)c1cncnc1
InChIInChI=1S/C7H9N3O2.ClH/c8-6(1-7(11)12)5-2-9-4-10-3-5;/h2-4,6H,1,8H2,(H,11,12);1H/t6-;/m0./s1
InChIKeyHSBAIYRBUYPJBJ-RGMNGODLSA-N
MW203.63 g/mol
LogP0.37
Rot. Bonds3

About (3S)-3-amino-3-pyrimidin-5-ylpropanoic acid;hydrochloride

(3S)-3-amino-3-pyrimidin-5-ylpropanoic acid;hydrochloride (PubChem CID 155289986) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is (3S)-3-amino-3-pyrimidin-5-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-3-pyrimidin-5-ylpropanoic acid;hydrochloride
PubChem CID155289986
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name(3S)-3-amino-3-pyrimidin-5-ylpropanoic acid;hydrochloride
SMILESCl.N[C@@H](CC(=O)O)c1cncnc1
InChIInChI=1S/C7H9N3O2.ClH/c8-6(1-7(11)12)5-2-9-4-10-3-5;/h2-4,6H,1,8H2,(H,11,12);1H/t6-;/m0./s1
InChIKeyHSBAIYRBUYPJBJ-RGMNGODLSA-N
XLogP0.37
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-pyrimidin-5-ylpropanoic acid;hydrochloride?
The IUPAC name of (3S)-3-amino-3-pyrimidin-5-ylpropanoic acid;hydrochloride (CID 155289986) is (3S)-3-amino-3-pyrimidin-5-ylpropanoic acid;hydrochloride.
What is the SMILES notation for (3S)-3-amino-3-pyrimidin-5-ylpropanoic acid;hydrochloride?
The canonical SMILES for (3S)-3-amino-3-pyrimidin-5-ylpropanoic acid;hydrochloride is Cl.N[C@@H](CC(=O)O)c1cncnc1.
What is the InChIKey of (3S)-3-amino-3-pyrimidin-5-ylpropanoic acid;hydrochloride?
The InChIKey is HSBAIYRBUYPJBJ-RGMNGODLSA-N. The full InChI is InChI=1S/C7H9N3O2.ClH/c8-6(1-7(11)12)5-2-9-4-10-3-5;/h2-4,6H,1,8H2,(H,11,12);1H/t6-;/m0./s1.
What are the key properties of (3S)-3-amino-3-pyrimidin-5-ylpropanoic acid;hydrochloride?
(3S)-3-amino-3-pyrimidin-5-ylpropanoic acid;hydrochloride has a molecular weight of 203.63 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-pyrimidin-5-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 155289986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).