ethyl (2R)-3-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]-2-methylpropanoate

C14H21N3O4 — CID 95973767

IUPACethyl (2R)-3-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]-2-methylpropanoate
SMILESCCOC(=O)[C@H](C)CNC(=O)Nc1ccc(=O)n(CC)c1
InChIInChI=1S/C14H21N3O4/c1-4-17-9-11(6-7-12(17)18)16-14(20)15-8-10(3)13(19)21-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H2,15,16,20)/t10-/m1/s1
InChIKeyFOPXPVHPEKFSEH-SNVBAGLBSA-N
MW295.34 g/mol
LogP1.19
Rot. Bonds6

About ethyl (2R)-3-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]-2-methylpropanoate

ethyl (2R)-3-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]-2-methylpropanoate (PubChem CID 95973767) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl (2R)-3-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-3-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]-2-methylpropanoate
PubChem CID95973767
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Nameethyl (2R)-3-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]-2-methylpropanoate
SMILESCCOC(=O)[C@H](C)CNC(=O)Nc1ccc(=O)n(CC)c1
InChIInChI=1S/C14H21N3O4/c1-4-17-9-11(6-7-12(17)18)16-14(20)15-8-10(3)13(19)21-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H2,15,16,20)/t10-/m1/s1
InChIKeyFOPXPVHPEKFSEH-SNVBAGLBSA-N
XLogP1.19
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethyl-6-oxo-3-pyridinyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 110909824
1-(1-ethyl-6-oxo-3-pyridinyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111474032
(2S)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpentanamide
CID 61172675
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide
CID 81075529
2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)hexanamide
CID 54862552
(2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3,3-dimethylbutanamide
CID 103929013
1-(1-ethyl-6-oxo-3-pyridinyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 56818346
2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 63680648
(2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-phenylpropanamide
CID 78984653
benzyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate
CID 130157687
N-(1-ethyl-6-oxo-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 146323423
(Z)-4-[(1-ethyl-6-oxo-3-pyridinyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55169258

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-3-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]-2-methylpropanoate?
The IUPAC name of ethyl (2R)-3-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]-2-methylpropanoate (CID 95973767) is ethyl (2R)-3-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]-2-methylpropanoate.
What is the SMILES notation for ethyl (2R)-3-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]-2-methylpropanoate?
The canonical SMILES for ethyl (2R)-3-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]-2-methylpropanoate is CCOC(=O)[C@H](C)CNC(=O)Nc1ccc(=O)n(CC)c1.
What is the InChIKey of ethyl (2R)-3-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]-2-methylpropanoate?
The InChIKey is FOPXPVHPEKFSEH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-4-17-9-11(6-7-12(17)18)16-14(20)15-8-10(3)13(19)21-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H2,15,16,20)/t10-/m1/s1.
What are the key properties of ethyl (2R)-3-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]-2-methylpropanoate?
ethyl (2R)-3-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]-2-methylpropanoate has a molecular weight of 295.34 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-3-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]-2-methylpropanoate is sourced from PubChem (CID 95973767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).