(2R)-3,3-dimethyl-2-[(6-methyl-3-pyridinyl)carbamoylamino]butanoic acid

C13H19N3O3 — CID 103928206

IUPAC(2R)-3,3-dimethyl-2-[(6-methyl-3-pyridinyl)carbamoylamino]butanoic acid
SMILESCc1ccc(NC(=O)N[C@@H](C(=O)O)C(C)(C)C)cn1
InChIInChI=1S/C13H19N3O3/c1-8-5-6-9(7-14-8)15-12(19)16-10(11(17)18)13(2,3)4/h5-7,10H,1-4H3,(H,17,18)(H2,15,16,19)/t10-/m0/s1
InChIKeyYKZXJACLKBLQFM-JTQLQIEISA-N
MW265.31 g/mol
LogP2.01
Rot. Bonds3

About (2R)-3,3-dimethyl-2-[(6-methyl-3-pyridinyl)carbamoylamino]butanoic acid

(2R)-3,3-dimethyl-2-[(6-methyl-3-pyridinyl)carbamoylamino]butanoic acid (PubChem CID 103928206) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-2-[(6-methyl-3-pyridinyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-2-[(6-methyl-3-pyridinyl)carbamoylamino]butanoic acid
PubChem CID103928206
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(2R)-3,3-dimethyl-2-[(6-methyl-3-pyridinyl)carbamoylamino]butanoic acid
SMILESCc1ccc(NC(=O)N[C@@H](C(=O)O)C(C)(C)C)cn1
InChIInChI=1S/C13H19N3O3/c1-8-5-6-9(7-14-8)15-12(19)16-10(11(17)18)13(2,3)4/h5-7,10H,1-4H3,(H,17,18)(H2,15,16,19)/t10-/m0/s1
InChIKeyYKZXJACLKBLQFM-JTQLQIEISA-N
XLogP2.01
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-3,3-dimethyl-2-[(6-methyl-3-pyridinyl)carbamoylamino]butanoic acid with MolForge

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Related Compounds

1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
3,3-dimethyl-2-[(6-methyl-3-pyridinyl)carbamoyl]butanoic acid
CID 116537364
2-[(4-ethylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 61190716
(2R)-2-[(3-fluoro-4-methylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 103927550
(2S)-2-[(3-fluoro-4-methylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 61190553
(2S)-3,3-dimethyl-2-(thiophen-3-ylcarbamoylamino)butanoic acid
CID 66354816
(2S)-2-hydroxy-3-[(6-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107840624
(2R)-3,3-dimethyl-2-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 103927622
3,3-dimethyl-2-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 61198123
(2S)-5-methoxy-2-[(6-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
CID 107265688
(2R)-2-[(4-bromo-3-methoxyphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 103928242
3,3-dimethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 62904639

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-2-[(6-methyl-3-pyridinyl)carbamoylamino]butanoic acid?
The IUPAC name of (2R)-3,3-dimethyl-2-[(6-methyl-3-pyridinyl)carbamoylamino]butanoic acid (CID 103928206) is (2R)-3,3-dimethyl-2-[(6-methyl-3-pyridinyl)carbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-3,3-dimethyl-2-[(6-methyl-3-pyridinyl)carbamoylamino]butanoic acid?
The canonical SMILES for (2R)-3,3-dimethyl-2-[(6-methyl-3-pyridinyl)carbamoylamino]butanoic acid is Cc1ccc(NC(=O)N[C@@H](C(=O)O)C(C)(C)C)cn1.
What is the InChIKey of (2R)-3,3-dimethyl-2-[(6-methyl-3-pyridinyl)carbamoylamino]butanoic acid?
The InChIKey is YKZXJACLKBLQFM-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-5-6-9(7-14-8)15-12(19)16-10(11(17)18)13(2,3)4/h5-7,10H,1-4H3,(H,17,18)(H2,15,16,19)/t10-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-2-[(6-methyl-3-pyridinyl)carbamoylamino]butanoic acid?
(2R)-3,3-dimethyl-2-[(6-methyl-3-pyridinyl)carbamoylamino]butanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-2-[(6-methyl-3-pyridinyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 103928206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).