3-[ethyl-[(4-methyl-3-pyridinyl)methylcarbamoyl]amino]-2-methylpropanoic acid

C14H21N3O3 — CID 114957124

IUPAC3-[ethyl-[(4-methyl-3-pyridinyl)methylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)NCc1cnccc1C
InChIInChI=1S/C14H21N3O3/c1-4-17(9-11(3)13(18)19)14(20)16-8-12-7-15-6-5-10(12)2/h5-7,11H,4,8-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyVOJGMORUXOCZSB-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.64
Rot. Bonds6

About 3-[ethyl-[(4-methyl-3-pyridinyl)methylcarbamoyl]amino]-2-methylpropanoic acid

3-[ethyl-[(4-methyl-3-pyridinyl)methylcarbamoyl]amino]-2-methylpropanoic acid (PubChem CID 114957124) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[ethyl-[(4-methyl-3-pyridinyl)methylcarbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(4-methyl-3-pyridinyl)methylcarbamoyl]amino]-2-methylpropanoic acid
PubChem CID114957124
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-[ethyl-[(4-methyl-3-pyridinyl)methylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)NCc1cnccc1C
InChIInChI=1S/C14H21N3O3/c1-4-17(9-11(3)13(18)19)14(20)16-8-12-7-15-6-5-10(12)2/h5-7,11H,4,8-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyVOJGMORUXOCZSB-UHFFFAOYSA-N
XLogP1.64
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(4-methyl-3-pyridinyl)methylcarbamoylamino]propanoic acid
CID 114957107
3-[ethyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 63303421
3-[ethyl(1H-imidazol-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid
CID 64524720
4-methyl-2-[(4-methyl-3-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 114957104
2-methyl-3-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]propanamide
CID 114955965
2-methyl-3-[(3-methyl-4-pyridinyl)methylcarbamoylamino]propanoic acid
CID 114701374
3-[ethyl-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 106303745
1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea
CID 114955224
3-[ethyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62852861
4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid
CID 114957277
3-[ethyl(3-methylbutylcarbamoyl)amino]-2-methylpropanoic acid
CID 62852278
3-[ethyl-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid
CID 62854096

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(4-methyl-3-pyridinyl)methylcarbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[(4-methyl-3-pyridinyl)methylcarbamoyl]amino]-2-methylpropanoic acid (CID 114957124) is 3-[ethyl-[(4-methyl-3-pyridinyl)methylcarbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[(4-methyl-3-pyridinyl)methylcarbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[(4-methyl-3-pyridinyl)methylcarbamoyl]amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)NCc1cnccc1C.
What is the InChIKey of 3-[ethyl-[(4-methyl-3-pyridinyl)methylcarbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is VOJGMORUXOCZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-17(9-11(3)13(18)19)14(20)16-8-12-7-15-6-5-10(12)2/h5-7,11H,4,8-9H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 3-[ethyl-[(4-methyl-3-pyridinyl)methylcarbamoyl]amino]-2-methylpropanoic acid?
3-[ethyl-[(4-methyl-3-pyridinyl)methylcarbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(4-methyl-3-pyridinyl)methylcarbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 114957124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).