3-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoic acid

C12H18N2O2 — CID 103258388

IUPAC3-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoic acid
SMILESCC(C)C(N[C@H](C)c1ccccn1)C(=O)O
InChIInChI=1S/C12H18N2O2/c1-8(2)11(12(15)16)14-9(3)10-6-4-5-7-13-10/h4-9,11,14H,1-3H3,(H,15,16)/t9-,11?/m1/s1
InChIKeyREAPCUMRDXSDKC-BFHBGLAWSA-N
MW222.29 g/mol
LogP1.84
Rot. Bonds5

About 3-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoic acid

3-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoic acid (PubChem CID 103258388) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoic acid
PubChem CID103258388
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoic acid
SMILESCC(C)C(N[C@H](C)c1ccccn1)C(=O)O
InChIInChI=1S/C12H18N2O2/c1-8(2)11(12(15)16)14-9(3)10-6-4-5-7-13-10/h4-9,11,14H,1-3H3,(H,15,16)/t9-,11?/m1/s1
InChIKeyREAPCUMRDXSDKC-BFHBGLAWSA-N
XLogP1.84
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 61197140
3-methyl-2-(1-pyridin-2-ylethylsulfonylamino)butanoic acid
CID 70059903
(2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
CID 28648178
N-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide
CID 81407253
3-methyl-2-(1-pyridin-2-ylethylamino)butan-1-ol
CID 79253644
2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 81402344
N-propan-2-yl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide
CID 81401315
N-(1-iodoethyl)-1-pyridin-2-ylethanamine
CID 174262770
3-(1-pyridin-2-ylethylamino)butanamide
CID 115572776
N-[(1R)-1-pyridin-2-ylethyl]hydroxylamine
CID 51441798
3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid
CID 81406743
N-ethyl-2-(1-pyridin-2-ylethylamino)propanamide
CID 43396710

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoic acid?
The IUPAC name of 3-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoic acid (CID 103258388) is 3-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoic acid is CC(C)C(N[C@H](C)c1ccccn1)C(=O)O.
What is the InChIKey of 3-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoic acid?
The InChIKey is REAPCUMRDXSDKC-BFHBGLAWSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)11(12(15)16)14-9(3)10-6-4-5-7-13-10/h4-9,11,14H,1-3H3,(H,15,16)/t9-,11?/m1/s1.
What are the key properties of 3-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoic acid?
3-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoic acid has a molecular weight of 222.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoic acid is sourced from PubChem (CID 103258388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).