2-(butan-2-ylamino)-2-pyridin-4-ylpropanoic acid

C12H18N2O2 — CID 61024665

IUPAC2-(butan-2-ylamino)-2-pyridin-4-ylpropanoic acid
SMILESCCC(C)NC(C)(C(=O)O)c1ccncc1
InChIInChI=1S/C12H18N2O2/c1-4-9(2)14-12(3,11(15)16)10-5-7-13-8-6-10/h5-9,14H,4H2,1-3H3,(H,15,16)
InChIKeyJVDQKFWQUPODRJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.77
Rot. Bonds5

About 2-(butan-2-ylamino)-2-pyridin-4-ylpropanoic acid

2-(butan-2-ylamino)-2-pyridin-4-ylpropanoic acid (PubChem CID 61024665) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-pyridin-4-ylpropanoic acid
PubChem CID61024665
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(butan-2-ylamino)-2-pyridin-4-ylpropanoic acid
SMILESCCC(C)NC(C)(C(=O)O)c1ccncc1
InChIInChI=1S/C12H18N2O2/c1-4-9(2)14-12(3,11(15)16)10-5-7-13-8-6-10/h5-9,14H,4H2,1-3H3,(H,15,16)
InChIKeyJVDQKFWQUPODRJ-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methoxypropan-2-ylamino)-2-pyridin-4-ylpropanoic acid
CID 114990587
2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid
CID 61024139
2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propanoic acid
CID 54908415
2-[(1-amino-1-oxopropan-2-yl)amino]-2-pyridin-4-ylpropanoic acid
CID 114990339
2-(butan-2-ylamino)-2-(3-chlorophenyl)propanoic acid
CID 61024539
2-(butylamino)-2-pyridin-4-ylpropanoic acid
CID 114988882
2-(butan-2-ylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoic acid
CID 61024544
2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid
CID 61024255
2-(butan-2-ylamino)-2-[3-(tetrazol-1-yl)phenyl]propanoic acid
CID 61024143
2-(benzylamino)-2-pyridin-4-ylpropanamide
CID 54891502
ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate
CID 54907922
ethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate
CID 54907921

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-pyridin-4-ylpropanoic acid?
The IUPAC name of 2-(butan-2-ylamino)-2-pyridin-4-ylpropanoic acid (CID 61024665) is 2-(butan-2-ylamino)-2-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 2-(butan-2-ylamino)-2-pyridin-4-ylpropanoic acid?
The canonical SMILES for 2-(butan-2-ylamino)-2-pyridin-4-ylpropanoic acid is CCC(C)NC(C)(C(=O)O)c1ccncc1.
What is the InChIKey of 2-(butan-2-ylamino)-2-pyridin-4-ylpropanoic acid?
The InChIKey is JVDQKFWQUPODRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-9(2)14-12(3,11(15)16)10-5-7-13-8-6-10/h5-9,14H,4H2,1-3H3,(H,15,16).
What are the key properties of 2-(butan-2-ylamino)-2-pyridin-4-ylpropanoic acid?
2-(butan-2-ylamino)-2-pyridin-4-ylpropanoic acid has a molecular weight of 222.29 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 61024665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).