2-[3-[2-methyl-6-[(2R)-1-methylpyrrolidin-2-yl]-4-pyridinyl]propanoylamino]acetic acid

C16H23N3O3 — CID 95827134

IUPAC2-[3-[2-methyl-6-[(2R)-1-methylpyrrolidin-2-yl]-4-pyridinyl]propanoylamino]acetic acid
SMILESCc1cc(CCC(=O)NCC(=O)O)cc([C@H]2CCCN2C)n1
InChIInChI=1S/C16H23N3O3/c1-11-8-12(5-6-15(20)17-10-16(21)22)9-13(18-11)14-4-3-7-19(14)2/h8-9,14H,3-7,10H2,1-2H3,(H,17,20)(H,21,22)/t14-/m1/s1
InChIKeyXJMIRNBTKFBBGF-CQSZACIVSA-N
MW305.38 g/mol
LogP1.29
Rot. Bonds6

About 2-[3-[2-methyl-6-[(2R)-1-methylpyrrolidin-2-yl]-4-pyridinyl]propanoylamino]acetic acid

2-[3-[2-methyl-6-[(2R)-1-methylpyrrolidin-2-yl]-4-pyridinyl]propanoylamino]acetic acid (PubChem CID 95827134) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[3-[2-methyl-6-[(2R)-1-methylpyrrolidin-2-yl]-4-pyridinyl]propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[3-[2-methyl-6-[(2R)-1-methylpyrrolidin-2-yl]-4-pyridinyl]propanoylamino]acetic acid
PubChem CID95827134
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[3-[2-methyl-6-[(2R)-1-methylpyrrolidin-2-yl]-4-pyridinyl]propanoylamino]acetic acid
SMILESCc1cc(CCC(=O)NCC(=O)O)cc([C@H]2CCCN2C)n1
InChIInChI=1S/C16H23N3O3/c1-11-8-12(5-6-15(20)17-10-16(21)22)9-13(18-11)14-4-3-7-19(14)2/h8-9,14H,3-7,10H2,1-2H3,(H,17,20)(H,21,22)/t14-/m1/s1
InChIKeyXJMIRNBTKFBBGF-CQSZACIVSA-N
XLogP1.29
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-methyl-6-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95820786
3-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]propanoic acid
CID 66510103
3-[2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]propanoic acid
CID 110090173
N-methyl-3-[2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]propanamide
CID 110255752
3-[6-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid
CID 95823594
3-[2-methyl-6-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]propanoic acid
CID 95827377
2-[3-[2-methyl-6-[(2S)-1-propan-2-ylpiperidin-2-yl]pyrimidin-4-yl]propanoylamino]acetic acid
CID 95827139
3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)-4-pyridinyl]-N-(1H-pyrazol-4-yl)propanamide
CID 110258138
N-(2-hydroxyethyl)-3-[6-[(2R)-1-methylpyrrolidin-2-yl]-2-pyridinyl]propanamide
CID 95842714
3-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]propanoic acid
CID 115043814
3-[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide
CID 124975785
4-methyl-6-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine
CID 59551929

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-methyl-6-[(2R)-1-methylpyrrolidin-2-yl]-4-pyridinyl]propanoylamino]acetic acid?
The IUPAC name of 2-[3-[2-methyl-6-[(2R)-1-methylpyrrolidin-2-yl]-4-pyridinyl]propanoylamino]acetic acid (CID 95827134) is 2-[3-[2-methyl-6-[(2R)-1-methylpyrrolidin-2-yl]-4-pyridinyl]propanoylamino]acetic acid.
What is the SMILES notation for 2-[3-[2-methyl-6-[(2R)-1-methylpyrrolidin-2-yl]-4-pyridinyl]propanoylamino]acetic acid?
The canonical SMILES for 2-[3-[2-methyl-6-[(2R)-1-methylpyrrolidin-2-yl]-4-pyridinyl]propanoylamino]acetic acid is Cc1cc(CCC(=O)NCC(=O)O)cc([C@H]2CCCN2C)n1.
What is the InChIKey of 2-[3-[2-methyl-6-[(2R)-1-methylpyrrolidin-2-yl]-4-pyridinyl]propanoylamino]acetic acid?
The InChIKey is XJMIRNBTKFBBGF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-8-12(5-6-15(20)17-10-16(21)22)9-13(18-11)14-4-3-7-19(14)2/h8-9,14H,3-7,10H2,1-2H3,(H,17,20)(H,21,22)/t14-/m1/s1.
What are the key properties of 2-[3-[2-methyl-6-[(2R)-1-methylpyrrolidin-2-yl]-4-pyridinyl]propanoylamino]acetic acid?
2-[3-[2-methyl-6-[(2R)-1-methylpyrrolidin-2-yl]-4-pyridinyl]propanoylamino]acetic acid has a molecular weight of 305.38 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-methyl-6-[(2R)-1-methylpyrrolidin-2-yl]-4-pyridinyl]propanoylamino]acetic acid is sourced from PubChem (CID 95827134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).