(2R)-2-[methyl-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]propanoic acid

C13H16N2O3 — CID 99701873

IUPAC(2R)-2-[methyl-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]propanoic acid
SMILESC[C@H](C(=O)O)N(C)C(=O)[C@H]1C[C@@H]1c1cccnc1
InChIInChI=1S/C13H16N2O3/c1-8(13(17)18)15(2)12(16)11-6-10(11)9-4-3-5-14-7-9/h3-5,7-8,10-11H,6H2,1-2H3,(H,17,18)/t8-,10-,11+/m1/s1
InChIKeyXENHMTYDWHZUSZ-IEBDPFPHSA-N
MW248.28 g/mol
LogP1.12
Rot. Bonds4

About (2R)-2-[methyl-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]propanoic acid

(2R)-2-[methyl-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]propanoic acid (PubChem CID 99701873) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2R)-2-[methyl-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[methyl-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]propanoic acid
PubChem CID99701873
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(2R)-2-[methyl-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]propanoic acid
SMILESC[C@H](C(=O)O)N(C)C(=O)[C@H]1C[C@@H]1c1cccnc1
InChIInChI=1S/C13H16N2O3/c1-8(13(17)18)15(2)12(16)11-6-10(11)9-4-3-5-14-7-9/h3-5,7-8,10-11H,6H2,1-2H3,(H,17,18)/t8-,10-,11+/m1/s1
InChIKeyXENHMTYDWHZUSZ-IEBDPFPHSA-N
XLogP1.12
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[methyl-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]propanoic acid with MolForge

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Related Compounds

3,3-dimethyl-1-[(2S)-2-[5-(pyridin-3-yl)pentanoyl]pyrrolidin-1-yl]pentane-1,2-dione
CID 9798888
3,3-dimethyl-1-[(2S)-2-[6-(pyridin-3-yl)hexanoyl]piperidin-1-yl]pentane-1,2-dione
CID 11069110
N,2-dimethyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 5459531
cis-(1S,2R)-2-(aminomethyl)-N,N-diethyl-1-pyridin-3-ylcyclopropane-1-carboxamide
CID 44448511
2-(2-Oxo-4-pyridin-3-ylpyrrolidin-1-yl)butanamide
CID 22387190
Piperidine, 1-(1-oxohexyl)-2-(3-pyridinyl)-, (S)-
CID 3046835
rac-(1R,2R)-2-(pyridin-3-yl)cyclopropane-1-carboxylic acid
CID 39235836
7-Oxo-3-pyridin-3-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 44382658
1-(3-Methylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 45849920
8-(Cyclopropanecarbonyl)-1-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 118744380
H-4Pal-Val-Ile-Ala-OH
CID 162653587
4-{Methyl[3-phenyl-3-(pyridin-2-yl)propyl]amino}-4-oxobutanoic acid
CID 133052757

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[methyl-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]propanoic acid (CID 99701873) is (2R)-2-[methyl-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[methyl-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[methyl-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]propanoic acid is C[C@H](C(=O)O)N(C)C(=O)[C@H]1C[C@@H]1c1cccnc1.
What is the InChIKey of (2R)-2-[methyl-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]propanoic acid?
The InChIKey is XENHMTYDWHZUSZ-IEBDPFPHSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(13(17)18)15(2)12(16)11-6-10(11)9-4-3-5-14-7-9/h3-5,7-8,10-11H,6H2,1-2H3,(H,17,18)/t8-,10-,11+/m1/s1.
What are the key properties of (2R)-2-[methyl-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]propanoic acid?
(2R)-2-[methyl-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]propanoic acid has a molecular weight of 248.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[methyl-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 99701873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).