(2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylpentanoic acid

C14H17N3O3 — CID 61173973

IUPAC(2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylpentanoic acid
SMILESCCC(C)[C@H](NC(=O)c1cn2ccccc2n1)C(=O)O
InChIInChI=1S/C14H17N3O3/c1-3-9(2)12(14(19)20)16-13(18)10-8-17-7-5-4-6-11(17)15-10/h4-9,12H,3H2,1-2H3,(H,16,18)(H,19,20)/t9?,12-/m0/s1
InChIKeyMLELZRPBRUAZHH-ACGXKRRESA-N
MW275.31 g/mol
LogP1.56
Rot. Bonds5

About (2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylpentanoic acid

(2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylpentanoic acid (PubChem CID 61173973) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylpentanoic acid
PubChem CID61173973
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylpentanoic acid
SMILESCCC(C)[C@H](NC(=O)c1cn2ccccc2n1)C(=O)O
InChIInChI=1S/C14H17N3O3/c1-3-9(2)12(14(19)20)16-13(18)10-8-17-7-5-4-6-11(17)15-10/h4-9,12H,3H2,1-2H3,(H,16,18)(H,19,20)/t9?,12-/m0/s1
InChIKeyMLELZRPBRUAZHH-ACGXKRRESA-N
XLogP1.56
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-3-methyl-2-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]pentanoic acid
CID 119194403
2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoic acid
CID 43170854
2-(imidazo[1,2-a]pyridine-2-carbonylamino)pentanoic acid
CID 43630934
N-(1-hydroxybutan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 43419304
N-[(2S)-heptan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 51969987
3-methyl-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]pentanoic acid
CID 82032893
tert-butyl (2R)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoate
CID 80999369
3-(imidazo[1,2-a]pyridine-2-carbonylamino)-2-methoxypropanoic acid
CID 106107683
3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119211592
(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086
(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054092
3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid
CID 16795877

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylpentanoic acid?
The IUPAC name of (2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylpentanoic acid (CID 61173973) is (2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylpentanoic acid.
What is the SMILES notation for (2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylpentanoic acid?
The canonical SMILES for (2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylpentanoic acid is CCC(C)[C@H](NC(=O)c1cn2ccccc2n1)C(=O)O.
What is the InChIKey of (2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylpentanoic acid?
The InChIKey is MLELZRPBRUAZHH-ACGXKRRESA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-9(2)12(14(19)20)16-13(18)10-8-17-7-5-4-6-11(17)15-10/h4-9,12H,3H2,1-2H3,(H,16,18)(H,19,20)/t9?,12-/m0/s1.
What are the key properties of (2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylpentanoic acid?
(2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylpentanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylpentanoic acid is sourced from PubChem (CID 61173973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).