2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride

C11H16Cl2N2O2 — CID 132891596

IUPAC2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride
SMILESCl.Cl.O=C(O)CN(Cc1ccncc1)C1CC1
InChIInChI=1S/C11H14N2O2.2ClH/c14-11(15)8-13(10-1-2-10)7-9-3-5-12-6-4-9;;/h3-6,10H,1-2,7-8H2,(H,14,15);2*1H
InChIKeyWNDYTHNHLDSKSX-UHFFFAOYSA-N
MW279.17 g/mol
LogP1.97
Rot. Bonds5

About 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride

2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride (PubChem CID 132891596) has the molecular formula C11H16Cl2N2O2 and a molecular weight of 279.17 g/mol. Its IUPAC name is 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride.

Molecular Properties

Compound Name2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride
PubChem CID132891596
Molecular FormulaC11H16Cl2N2O2
Molecular Weight279.17 g/mol
Exact Mass278.06
IUPAC Name2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride
SMILESCl.Cl.O=C(O)CN(Cc1ccncc1)C1CC1
InChIInChI=1S/C11H14N2O2.2ClH/c14-11(15)8-13(10-1-2-10)7-9-3-5-12-6-4-9;;/h3-6,10H,1-2,7-8H2,(H,14,15);2*1H
InChIKeyWNDYTHNHLDSKSX-UHFFFAOYSA-N
XLogP1.97
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetic acid;hydrochloride
CID 170903356
ethyl 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetate
CID 60697552
3-[cyclopropyl(pyridin-4-ylmethyl)amino]-3-oxopropanoic acid
CID 62230754
2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid
CID 46993000
2-[cyclopropyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]amino]acetic acid
CID 65057479
2-[cyclopentyl-[(4-cyclopropylphenyl)methyl]amino]acetic acid
CID 79976968
2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 39361490
N-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine
CID 122134073
6-[cyclopropyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 60953865
2-[cyclopropyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid
CID 65057571
2-[2-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61327867
2-[cyclopropyl(quinolin-3-ylmethyl)amino]acetic acid
CID 114203529

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride?
The IUPAC name of 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride (CID 132891596) is 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride.
What is the SMILES notation for 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride?
The canonical SMILES for 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride is Cl.Cl.O=C(O)CN(Cc1ccncc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride?
The InChIKey is WNDYTHNHLDSKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.2ClH/c14-11(15)8-13(10-1-2-10)7-9-3-5-12-6-4-9;;/h3-6,10H,1-2,7-8H2,(H,14,15);2*1H.
What are the key properties of 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride?
2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride has a molecular weight of 279.17 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride is sourced from PubChem (CID 132891596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).