2-[cyclopropylmethyl(pyridin-4-yl)amino]acetic acid

C11H14N2O2 — CID 43656331

IUPAC2-[cyclopropylmethyl(pyridin-4-yl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)c1ccncc1
InChIInChI=1S/C11H14N2O2/c14-11(15)8-13(7-9-1-2-9)10-3-5-12-6-4-10/h3-6,9H,1-2,7-8H2,(H,14,15)
InChIKeyKURUFLMZNHRAQV-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.38
Rot. Bonds5

About 2-[cyclopropylmethyl(pyridin-4-yl)amino]acetic acid

2-[cyclopropylmethyl(pyridin-4-yl)amino]acetic acid (PubChem CID 43656331) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(pyridin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(pyridin-4-yl)amino]acetic acid
PubChem CID43656331
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-[cyclopropylmethyl(pyridin-4-yl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)c1ccncc1
InChIInChI=1S/C11H14N2O2/c14-11(15)8-13(7-9-1-2-9)10-3-5-12-6-4-10/h3-6,9H,1-2,7-8H2,(H,14,15)
InChIKeyKURUFLMZNHRAQV-UHFFFAOYSA-N
XLogP1.38
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(cyclohexylmethyl)anilino]acetic acid
CID 60839263
2-[N-(cyclopropylmethyl)-4-ethylsulfanylanilino]acetic acid
CID 134176132
2-[cyclopropylmethyl-(3-nitro-4-pyridinyl)amino]acetic acid
CID 43656324
2-[cyclopropylmethyl-[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid
CID 64831223
2-[(6-chloropyridazin-3-yl)-(cyclopropylmethyl)amino]acetic acid
CID 43656381
2-[cyclopropylmethyl-(5-fluoropyrimidin-2-yl)amino]acetic acid
CID 104605859
2-[4-cyano-N-(cyclopropylmethyl)-3-methylanilino]acetic acid
CID 81274415
2-[cyclopropylmethyl(quinoxalin-2-yl)amino]acetic acid
CID 62359121
2-[(3-chloro-4-cyano-2-pyridinyl)-(cyclopropylmethyl)amino]acetic acid
CID 107056300
2-[cinnolin-4-yl(cyclopropylmethyl)amino]acetic acid
CID 63588247
2-[cyclopropylmethyl-(1-phenyltetrazol-5-yl)amino]acetic acid
CID 43656375
2-[cyclopropylmethyl-(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid
CID 43656325

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(pyridin-4-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(pyridin-4-yl)amino]acetic acid (CID 43656331) is 2-[cyclopropylmethyl(pyridin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(pyridin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(pyridin-4-yl)amino]acetic acid is O=C(O)CN(CC1CC1)c1ccncc1.
What is the InChIKey of 2-[cyclopropylmethyl(pyridin-4-yl)amino]acetic acid?
The InChIKey is KURUFLMZNHRAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-11(15)8-13(7-9-1-2-9)10-3-5-12-6-4-10/h3-6,9H,1-2,7-8H2,(H,14,15).
What are the key properties of 2-[cyclopropylmethyl(pyridin-4-yl)amino]acetic acid?
2-[cyclopropylmethyl(pyridin-4-yl)amino]acetic acid has a molecular weight of 206.25 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(pyridin-4-yl)amino]acetic acid is sourced from PubChem (CID 43656331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).