2-[(5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetic acid

C12H15N3O2 — CID 63064843

IUPAC2-[(5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)c1ccc(C#N)cn1
InChIInChI=1S/C12H15N3O2/c1-9(2)7-15(8-12(16)17)11-4-3-10(5-13)6-14-11/h3-4,6,9H,7-8H2,1-2H3,(H,16,17)
InChIKeyNKCPKVPPOUMODN-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.50
Rot. Bonds5

About 2-[(5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetic acid

2-[(5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 63064843) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[(5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetic acid
PubChem CID63064843
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[(5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)c1ccc(C#N)cn1
InChIInChI=1S/C12H15N3O2/c1-9(2)7-15(8-12(16)17)11-4-3-10(5-13)6-14-11/h3-4,6,9H,7-8H2,1-2H3,(H,16,17)
InChIKeyNKCPKVPPOUMODN-UHFFFAOYSA-N
XLogP1.50
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-cyano-2-pyridinyl)-propan-2-ylamino]propanoic acid
CID 54925557
3-[carboxymethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82317128
N-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-2-carboxamide
CID 63716939
6-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carbonitrile
CID 55028427
3-[2-methylpropyl-(5-methyl-2-pyridinyl)amino]propanoic acid
CID 82319305
3-[(5-chloro-2-pyridinyl)-(2-methylpropyl)amino]propanoic acid
CID 82319315
N-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide
CID 115268044
tert-butyl-[2-[(5-cyano-2-pyridinyl)-ethylamino]ethyl]carbamic acid
CID 175931430
(E)-3-[6-[2-cyanoethyl(2-methylpropyl)amino]-3-pyridinyl]prop-2-enoic acid
CID 80633403
2-[(4-methyl-5-nitro-2-pyridinyl)-(2-methylpropyl)amino]acetic acid
CID 79173214
2-[(3-amino-5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetamide
CID 103468035
N-(5-cyano-2-pyridinyl)-4-methylpentanamide
CID 55209976

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetic acid (CID 63064843) is 2-[(5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)c1ccc(C#N)cn1.
What is the InChIKey of 2-[(5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is NKCPKVPPOUMODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9(2)7-15(8-12(16)17)11-4-3-10(5-13)6-14-11/h3-4,6,9H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[(5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetic acid?
2-[(5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 233.27 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63064843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).